SCHEMBL3633456

SCHEMBL3633456

Cc1nccc2nc([CH]CN3CCN(c4ccc5c(C)nccc5n4)CC3)ccc12

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.38
HTR3A P46098 1/20 0.36
SORD Q00796 7/20 0.36
SETDB1 Q15047 1/20 0.35
HTR1A P08908 6/20 0.35
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL3663846 0.79 SIGMAR1 (0.47)
SCHEMBL3627515 0.76 KDM4E (0.37) USP2ALDH1A1
SCHEMBL3320791 0.74 HTR1A (0.43) HRH3HTR3AHTR1AALDH1A1CYP1A2
SCHEMBL3632725 0.74 ACHE (0.44) HRH3
SCHEMBL3634835 0.74 L3MBTL1 (0.46) ALDH1A1
SCHEMBL3633470 0.72 GBA1 (0.45)
SCHEMBL3632360 0.72 FPR2 (0.43) HRH3
SCHEMBL3632511 0.71 KDM2B (0.42) HTR1A
SCHEMBL3633458 0.70 HRH3 (0.39) HRH3HTR3ASORDSETDB1NPC1
SCHEMBL3633554 0.70 KDM2B (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155748-A1 UROTENSIN II RECEPTOR ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2010-02-24 EP claimed
WO-2008144268-A1 UROTENSIN II RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-11-27 WO claimed