SCHEMBL4986734

SCHEMBL4986734

COC(=O)Cc1ccc(OCC2CNCCN2C(=O)c2cc(C)n(-c3ccccc3)c2-c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.39
REN P00797 2/20 0.39
KCNH2 Q12809 1/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL3495062 0.83 REN (0.47) RENHCRTR1HCRTR2CYP3A4
SCHEMBL13340161 0.82 KAT7 (0.38)
SCHEMBL8236184 0.81 HCRTR1 (0.53) RENHCRTR1HCRTR2CYP3A4
SCHEMBL3494532 0.80 HCRTR1 (0.44) RENKCNH2HCRTR1HCRTR2CYP3A4
SCHEMBL3493364 0.80 KDM1A (0.35)
Hydrochloric Acid SCHEMBL3494081 0.80 HCRTR1 (0.52) RENHCRTR1HCRTR2CYP3A4
SCHEMBL3493823 0.79 HCRTR1 (0.48) RENHCRTR1HCRTR2CYP3A4
SCHEMBL13341376 0.79 HCRTR1 (0.45) RENHCRTR1HCRTR2CYP3A4
SCHEMBL13341403 0.79 HCRTR1 (0.44) RENHCRTR1HCRTR2CYP3A4
SCHEMBL4985477 0.79 CNR1 (0.35)

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-1984355-A2 CYCLIC AMINE COMPOUND AND USE THEREOF FOR THE PROPHYLAXIS OR TREATMENT OF HYPERTENSION Takeda Pharmaceutical Company Limited (JP) 2008-10-29 EP disclosed
WO-2007094513-A2 CYCLIC AMINE COMPOUND AND USE THEREOF FOR THE PROPHYLAXIS OR TREATMENT OF HYPERTENSION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-08-23 WO disclosed