SCHEMBL2106150

SCHEMBL2106150

C#CC(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.41
▸ DPP4 P27487 2/20 0.41
▸ F2 P00734 1/20 0.41
▸ TRPA1 O75762 1/20 0.39
▸ HTR2A P28223 1/20 0.38
▸ TAAR1 Q96RJ0 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ CYP2D6 P10635 1/20 0.36
▸ SRC P12931 1/20 0.36
▸ GAA P10253 1/20 0.35
▸ NPBWR1 P48145 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ MCHR1 Q99705 1/20 0.35
▸ HRH1 P35367 1/20 0.35
▸ MTOR P42345 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ GRM7 Q14831 1/20 0.35

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
SCHEMBL6069562 0.92 CHRNB2 (0.41) TSHRDPP4F2TRPA1TAAR1
SCHEMBL11408107 0.87 IDO1 (0.36) TSHRDPP4F2TRPA1HTR2A
SCHEMBL7493934 0.86 IDO1 (0.48) TSHRALDH1A1L3MBTL1CYP2D6
SCHEMBL5324736 0.86 LMNA (0.50) ALDH1A1HTTNPSR1
SCHEMBL5174129 0.81 PBRM1 (0.54) TSHRTRPA1ALDH1A1L3MBTL1GAA
SCHEMBL28385338 0.78 DPP4 (0.38) TSHRDPP4F2TRPA1HTR2A
SCHEMBL11272528 0.78 CYP2C19 (0.42) TSHRALDH1A1HTTL3MBTL1GAA
SCHEMBL6869750 0.78 ACP3 (0.44) TSHRHTR2AALDH1A1CYP2D6GAA
SCHEMBL11663962 0.77 DPP4 (0.41) TSHRDPP4F2TRPA1HTR2A
SCHEMBL4837910 0.75 DPP4 (0.45) TSHRDPP4F2TRPA1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1294699-B1 MODULATORS OF TNF- ALPHA SIGNALLING GENZYME CORP (US) 2016-04-13 — — EP claimed
EP-2326651-B1 BUPRENORPHINE ANALOGS PURDUE PHARMA LP (US) 2013-11-27 — — EP claimed
EP-1482931-B1 MONO- AND BICYCLIC AZOLE DERIVATIVES THAT INHIBIT THE INTERACTION OF LIGANDS WITH RAGE TRANSTECH PHARMA INC (US) 2011-10-19 — — EP claimed
EP-1114061-B1 FACTOR VIIa INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2010-03-10 — — EP claimed
EP-1975164-B1 Octahydrobenzimidazolone compounds as analgetics EURO CELTIQUE SA (LU) 2010-01-27 — — EP claimed
EP-1379246-B1 NOCICEPTIN ANALOGS EURO CELTIQUE SA (LU) 2008-10-08 — — EP claimed
EP-1385515-B1 SPIROPYRAZOLE COMPOUNDS EURO CELTIQUE SA (LU) 2008-08-06 — — EP claimed
EP-1338604-B9 N-ALKYLGLYCINE TRIMERES CAPABLE OF PROTECTING NEURONS AGAINST EXCITOTOXIC AGGRESSIONS AND COMPOSITIONS CONTAINING SAID TRIMERES DIVERDRUGS SL (ES) 2008-07-09 — — EP claimed
EP-1448571-B1 HIGH REFRACTIVE INDEX AROMATIC-BASED SILOXANE MONOFUNCTIONAL MACROMONOMERS BAUSCH & LOMB (US) 2008-05-21 — — EP claimed
EP-1626043-B1 Heterocyclic thioesters MGI GP INC (US) 2007-12-12 — — EP claimed
WO-2003055867-A1 BIPHENYLMETHYL-THIAZOLIDINEDIONES AND ANALOGUES AND THEIR USE AS PPAR-GAMMA ACTIVATORS GALDERMA RESEARCH & DEVELOPMENT, SNC (FR) 2003-07-10 — — WO claimed
EP-0682663-B1 4-HYDROXY-BENZOPYRAN-2-ONES AND 4-HYDROXY-CYCLOALKYL B]PYRAN-2-ONES USEFUL TO TREAT RETROVIRAL INFECTIONS UPJOHN CO (US) 2001-04-18 — — EP claimed
EP-0736012-B1 ANELLATED DIHYDROPYRIDINES AND THEIR USE IN THE PRODUCTION OF PHARMACEUTICAL PREPARATIONS BOEHRINGER INGELHEIM PHARMA (DE) 2000-11-22 — — EP claimed
EP-0769006-B1 SMALL MOLECULE INHIBITORS OF ROTAMASE ENZYME ACTIVITY GUILFORD PHARM INC (US) 2000-11-08 — — EP claimed
EP-0642530-B1 DERIVATIVES OF DOLASTATIN BASF AG (DE) 1998-08-12 — — EP claimed
EP-0682657-B1 9H-INDENO[1,2-b]PYRAZINE-3(4H)-ONES AND 9H-INDENO[1,2-b]PYRAZINE-2,3(1H,4H)-DIONES AND THEIR PREPARATION AND USE NOVO NORDISK AS (DK) 1997-11-19 — — EP claimed
EP-0543919-B1 USE OF HETEROCYCLIC AMINO-ALCOHOL COMPOUNDS IN THE MANUFACTURE OF A MEDICAMENT FOR TREATMENT OF CNS DISEASES SEARLE & CO (US) 1996-04-10 — — EP claimed
EP-0370320-B1 LACTAMIMIDES IN THE TREATMENT OF DRUG-RESISTANT PROTOZOAL INFECTIONS MERRELL DOW PHARMACEUTICALS INC. (US) 1992-09-30 — — EP claimed
EP-0223744-B1 FLAVONE DERIVATIVES RECORDATI S.A. CHEMICAL and PHARMACEUTICAL COMPANY (CH) 1992-03-11 — — EP claimed
EP-0156433-B1 ANTI-VIRALLY ACTIVE PYRIDAZINAMINES JANSSEN PHARMACEUTICA N.V. (BE) 1991-02-27 — — EP claimed
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