SCHEMBL2474964

SCHEMBL2474964

Cc1cccc(CCc2cnc[nH]2)c1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 4/20 0.52
▸ TAAR1 Q96RJ0 1/20 0.51
▸ ADRA2C P18825 6/20 0.49
▸ ADRA2A P08913 5/20 0.49
▸ ADRA2B P18089 5/20 0.49
▸ ADRA1A P35348 4/20 0.49
▸ ADRA1B P35368 4/20 0.49
▸ ADRA1D P25100 3/20 0.49
▸ TSHR P16473 2/20 0.49
▸ KCNH2 Q12809 1/20 0.49
▸ TP53 P04637 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ SLC6A2 P23975 1/20 0.48
▸ HTR7 P34969 1/20 0.48
▸ HRH3 Q9Y5N1 7/20 0.47
▸ HRH4 Q9H3N8 5/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Detomidine SCHEMBL2626815 0.85 ADRA1D (0.58) CYP19A1TAAR1ADRA2CADRA2AADRA2B
Detomidine SCHEMBL29833001 0.85 ADRA1D (0.58) CYP19A1TAAR1ADRA2CADRA2AADRA2B
Detomidine SCHEMBL29371271 0.84 ADRA1D (0.59) CYP19A1TAAR1ADRA2CADRA2AADRA2B
Detomidine SCHEMBL21624995 0.83 ADRA1D (0.55) CYP19A1TAAR1ADRA2CADRA2AADRA2B
Detomidine SCHEMBL22999498 0.81 ADRA1D (0.54) CYP19A1TAAR1ADRA2CADRA2AADRA2B
SCHEMBL2741598 0.77 TAAR1 (0.59) CYP19A1TAAR1ADRA2CADRA2AADRA2B
SCHEMBL6547407 0.76 ESR1 (0.47) TAAR1TSHRTP53CYP1A2ALDH1A1
SCHEMBL30231281 0.76 ESR1 (0.47) TAAR1TSHRTP53CYP1A2ALDH1A1
SCHEMBL8963903 0.74 HRH3 (0.73) TAAR1TSHRHRH3HRH4MEN1
SCHEMBL2741597 0.73 TAAR1 (0.59) TAAR1CYP1A2CYP3A4CYP2D6CYP2C9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 58 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023275311-A1 PROCESS FOR FREEZE-DRIED LOADED AEROGEL PARTICLES WITH BIOCIDALPROPERTIES AEROGEL APS (DK) 2023-01-05 — — WO claimed
EP-4399247-A1 ACRYLATE COATING COMPOSITION FOR FORMING AN ANTIFOULING COAT Hempel A/S (DK) 2024-07-17 — — EP disclosed
EP-4363508-A1 FREEZE-DRIED LOADED AEROGEL PARTICLES WITH BIOCIDAL PROPERTIES Aerogel ApS (DK) 2024-05-08 — — EP disclosed
WO-2023139212-A1 CURABLE POLYSILOXANE COATING COMPOSITION COMPRISING POLYSILAZANE DANMARKS TEKNISKE UNIVERSITET (DK) 2023-07-27 — — WO disclosed
WO-2023036923-A1 ACRYLATE COATING COMPOSITION FOR FORMING AN ANTIFOULING COAT HEMPEL A/S (DK) 2023-03-16 — — WO disclosed
WO-2023275311-A1 PROCESS FOR FREEZE-DRIED LOADED AEROGEL PARTICLES WITH BIOCIDALPROPERTIES AEROGEL APS (DK) 2023-01-05 — — WO disclosed
WO-2023275312-A1 FREEZE-DRIED LOADED AEROGEL PARTICLES WITH BIOCIDAL PROPERTIES AEROGEL APS (DK) 2023-01-05 — — WO disclosed
EP-4081030-A1 BIOCIDAL AEROGEL COMPOSITIONS FOR SURFACE PROTECTION Aerogel ApS (DK) 2022-11-02 — — EP disclosed
EP-4081031-A1 USE OF BIOCIDAL AEROGEL COMPOSITIONS IN ON-SHORE PAINTS, COATINGS AND SEALANTS Aerogel ApS (DK) 2022-11-02 — — EP disclosed
EP-4081029-A1 USE OF BIOCIDAL AEROGEL COMPOSITIONS IN MARINE PAINTS AND COATINGS Aerogel ApS (DK) 2022-11-02 — — EP disclosed
WO-2013103378-A1 DEXMEDETOMIDINE PREMIX FORMULATION HOSPIRA, INC. (US) 2013-07-11 — — WO disclosed
WO-2013069025-A1 \"PROCESS FOR THE PREPARATION OF DEXMEDETOMIDINE\ NEON LABORATORIES LTD. (IN) 2013-05-16 — — WO disclosed
WO-2013055528-A1 METHODS OF TREATING PEDIATRIC PATIENTS USING DEXMEDETOMIDINE HOSPIRA, INC. (US) 2013-04-18 — — WO disclosed
WO-2013000478-A1 FOULING CONTROL COATING COMPOSITIONS COMPRISING POLYSILOXANE AND PENDANT HYDROPHILIC OLIGOMER/POLYMER MOIETIES HEMPEL A/S (DK) 2013-01-03 — — WO disclosed
WO-2013000477-A1 POLYSILOXANE-BASED FOULING RELEASE COATS INCLUDING ENZYMES HEMPEL A/S (DK) 2013-01-03 — — WO disclosed
EP-2370136-A1 INHALATION DELIVERY METHODS AND DEVICES MAP Pharmaceuticals Inc (US) 2011-10-05 — — EP disclosed
WO-2010133548-A2 SLOW RELEASING MICROCAPSULES AND MICROSPHERES COMPRISING AN ACTIVE SUBSTANCE CAPECO AB (SE) 2010-11-25 — — WO disclosed
WO-2010065547-A1 INHALATION DELIVERY METHODS AND DEVICES MAP PHARMACEUTICALS, INC. (US) 2010-06-10 — — WO disclosed
EP-2124939-A1 A METHOD FOR IMPROVING THE PHARMACOKINETICS OF DRUGS METABOLIZED BY UGT2B10 ORION CORPORATION (FI) 2009-12-02 — — EP disclosed
WO-2008092987-A1 A METHOD FOR IMPROVING THE PHARMACOKINETICS OF DRUGS METABOLIZED BY UGT2B10 ORION CORPORATION (FI) 2008-08-07 — — WO disclosed
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