SCHEMBL4777937

SCHEMBL4777937

O=C(Nc1ccc(C2C3CNCC32)c(F)c1)Nc1cccc2cnccc12

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 18/20 0.58
CYP3A4 P08684 2/20 0.47
CCNE1 P24864 1/20 0.46
CDK2 P24941 1/20 0.46
CDK5 Q00535 1/20 0.46
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
THRB P10828 1/20 0.45
HTT P42858 1/20 0.45
BLM P54132 1/20 0.45
KMT2A Q03164 1/20 0.45

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
Hydrochloric Acid SCHEMBL4780347 0.89 TRPV1 (0.58) TRPV1CYP3A4CCNE1CDK2CDK5
SCHEMBL4778200 0.86 TRPV1 (0.55) TRPV1CCNE1CDK2CDK5ALDH1A1
SCHEMBL4778198 0.86 TRPV1 (0.55) TRPV1
SCHEMBL4776317 0.85 TRPV1 (0.60) TRPV1CCNE1CDK2CDK5MEN1
SCHEMBL4779521 0.82 TRPV1 (0.55) TRPV1CCNE1CDK2CDK5MEN1
SCHEMBL4777153 0.79 TRPV1 (0.51) TRPV1CYP3A4
SCHEMBL4780953 0.79 KDM4E (0.44) TRPV1CYP3A4ALDH1A1MAPTKMT2A
SCHEMBL4780959 0.79 KDM4E (0.44) TRPV1CYP3A4ALDH1A1MAPTKMT2A
SCHEMBL4779001 0.78 TRPV1 (0.49) TRPV1CCNE1CDK2CDK5ALDH1A1
SCHEMBL4777140 0.78 TRPV1 (0.55) TRPV1CYP3A4CCNE1CDK2CDK5

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
WO-2008010061-A2 3-AZABICYCLO [3.1.0] HEXANE VANILLOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESSES FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS S.A. (US) 2008-01-24 WO claimed
WO-2008010061-A2 3-AZABICYCLO [3.1.0] HEXANE VANILLOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESSES FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS S.A. (US) 2008-01-24 WO disclosed