SCHEMBL4778211

SCHEMBL4778211

Cc1ccc(C(=O)C2C3CNCC32)c(NC(=O)Nc2cccc3cnccc23)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 3/20 0.51
MAPT P10636 3/20 0.51
KMT2A Q03164 2/20 0.51
SSTR4 P31391 1/20 0.49
TRPV1 Q8NER1 14/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
EPHX2 P34913 1/20 0.46
CCNE1 P24864 1/20 0.46
CDK2 P24941 1/20 0.46
CDK5 Q00535 1/20 0.46
MEN1 O00255 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
SCHEMBL4778939 0.89 TRPV1 (0.54) KDM4EALDH1A1MAPTSSTR4TRPV1
SCHEMBL4778225 0.89 TRPV1 (0.50) SSTR4TRPV1CCNE1CDK2CDK5
SCHEMBL4777154 0.84 TRPV1 (0.53) TRPV1
SCHEMBL4779265 0.84 TRPV1 (0.50) ALDH1A1MAPTKMT2ASSTR4TRPV1
SCHEMBL4779001 0.80 TRPV1 (0.49) KDM4EALDH1A1MAPTSSTR4TRPV1
SCHEMBL4780432 0.80 CCNE1 (0.49) SSTR4TRPV1CCNE1CDK2CDK5
SCHEMBL4780255 0.80 TRPV1 (0.54) SSTR4TRPV1CCNE1CDK2CDK5
SCHEMBL4777140 0.78 TRPV1 (0.55) SSTR4TRPV1CCNE1CDK2CDK5
SCHEMBL4779521 0.78 TRPV1 (0.55) KDM4EALDH1A1MAPTKMT2ASSTR4
SCHEMBL4780953 0.76 KDM4E (0.44) KDM4EALDH1A1MAPTKMT2ATRPV1

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