SCHEMBL2490935

SCHEMBL2490935

N#Cc1cccnc1N1CCCCCN1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
RECQL P46063 1/20 0.43
CNR2 P34972 1/20 0.43
DRD2 P14416 3/20 0.41
HTR2A P28223 2/20 0.41
HSD11B1 P28845 1/20 0.40
DRD4 P21917 2/20 0.40
KCNMA1 Q12791 1/20 0.39
GRM5 P41594 2/20 0.38
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL30748716 0.79 KDM4E (0.59) KDM4EALDH1A1MAPTRECQLCNR2
SCHEMBL6822065 0.79 KDM4E (0.59) KDM4EALDH1A1MAPTRECQLCNR2
SCHEMBL3290416 0.79 KDM4E (0.59) KDM4EALDH1A1MAPTRECQLCNR2
SCHEMBL16339825 0.78 GRIN1 (0.42) KDM4ECNR2HTR2A
SCHEMBL565864 0.77 KDM4E (0.61) KDM4EALDH1A1MAPTRECQLCNR2
SCHEMBL252862 0.76 AR (0.41) KDM4EALDH1A1MAPTDRD2DRD4
SCHEMBL30101378 0.76 DRD2 (0.58) KDM4EALDH1A1MAPTRECQLDRD2
SCHEMBL232897 0.76 DRD2 (0.58) KDM4EALDH1A1MAPTRECQLDRD2
Hydrochloric Acid SCHEMBL6703246 0.75 DRD2 (0.56) KDM4EALDH1A1MAPTRECQLDRD2
SCHEMBL2004470 0.74 DRD2 (0.53) KDM4EALDH1A1MAPTRECQLDRD2

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3856183-A1 alfa2-ADRENOCEPTOR SUBTYPE C (ALPHA-2C) ANTAGONISTS FOR THE TREATMENT OF SLEEP APNEA Bayer Aktiengesellschaft (DE) 2021-08-04 EP claimed
WO-2020064479-A1 α2-ADRENOCEPTOR SUBTYPE C (ALPHA-2C) ANTAGONISTS FOR THE TREATMENT OF SLEEP APNEA BAYER AKTIENGESELLSCHAFT (DE) 2020-04-02 WO claimed
EP-2364303-A1 ARYL PIPERAZINE AND THEIR USE AS ALPHA2C ANTAGONISTS Orion Corporation (FI) 2011-09-14 EP claimed
WO-2010058060-A1 ARYL PIPERAZINE AND THEIR USE AS ALPHA2C ANTAGONISTS ORION CORPORATION (FI) 2010-05-27 WO claimed
EP-2066659-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-06-10 EP claimed
WO-2008040492-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-04-10 WO claimed
EP-3856183-A1 alfa2-ADRENOCEPTOR SUBTYPE C (ALPHA-2C) ANTAGONISTS FOR THE TREATMENT OF SLEEP APNEA Bayer Aktiengesellschaft (DE) 2021-08-04 EP disclosed
WO-2020064479-A1 α2-ADRENOCEPTOR SUBTYPE C (ALPHA-2C) ANTAGONISTS FOR THE TREATMENT OF SLEEP APNEA BAYER AKTIENGESELLSCHAFT (DE) 2020-04-02 WO disclosed
WO-2014207508-A1 PYRIDYL COMPOUND SUITABLE FOR THE TREATMENT OF METABOLIC DISORDERS Piramal Enterprises Limited (IN) 2014-12-31 WO disclosed
EP-2364303-A1 ARYL PIPERAZINE AND THEIR USE AS ALPHA2C ANTAGONISTS Orion Corporation (FI) 2011-09-14 EP disclosed
WO-2010058060-A1 ARYL PIPERAZINE AND THEIR USE AS ALPHA2C ANTAGONISTS ORION CORPORATION (FI) 2010-05-27 WO disclosed
EP-2066659-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-06-10 EP disclosed
WO-2008040492-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-04-10 WO disclosed