SCHEMBL4780959

SCHEMBL4780959

Cc1ccc(-c2ccc(NC(=O)Nc3cccc4cnccc34)c(C3C4CNCC43)c2)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TRPV1 Q8NER1 17/20 0.43
CYP3A4 P08684 4/20 0.43
KMT2A Q03164 1/20 0.42
EPHX2 P34913 1/20 0.41
CYP2D6 P10635 1/20 0.40

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
SCHEMBL4780953 1.00 KDM4E (0.44) KDM4EALDH1A1MAPTSMN1; SMN2TRPV1
SCHEMBL4777153 0.80 TRPV1 (0.51) TRPV1CYP3A4
SCHEMBL4777937 0.79 TRPV1 (0.58) ALDH1A1MAPTTRPV1CYP3A4KMT2A
Hydrochloric Acid SCHEMBL4780347 0.77 TRPV1 (0.58) KDM4EALDH1A1MAPTTRPV1CYP3A4
SCHEMBL4778211 0.76 KDM4E (0.51) KDM4EALDH1A1MAPTSMN1; SMN2TRPV1
SCHEMBL4779521 0.75 TRPV1 (0.55) KDM4EALDH1A1MAPTSMN1; SMN2TRPV1
SCHEMBL4778198 0.74 TRPV1 (0.55) TRPV1
SCHEMBL4778200 0.74 TRPV1 (0.55) KDM4EALDH1A1MAPTSMN1; SMN2TRPV1
SCHEMBL4776317 0.72 TRPV1 (0.60) KDM4EALDH1A1MAPTSMN1; SMN2TRPV1
SCHEMBL4779001 0.72 TRPV1 (0.49) KDM4EALDH1A1MAPTTRPV1

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