SCHEMBL4778207

SCHEMBL4778207

Cc1ccc(C(=O)N2CC3C(C2)C3NC(=O)Nc2cccc3cnccc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 13/20 0.49
KDM4E B2RXH2 4/20 0.48
MAPT P10636 4/20 0.48
ALDH1A1 P00352 3/20 0.48
KMT2A Q03164 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 1/20 0.48
GALK1 P51570 1/20 0.45
ATM Q13315 1/20 0.45
CYP3A4 P08684 2/20 0.45
EPHX2 P34913 1/20 0.45
CCNE1 P24864 1/20 0.44
CDK2 P24941 1/20 0.44
CDK5 Q00535 1/20 0.44
CNR1 P21554 1/20 0.44

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
SCHEMBL4774396 1.00 TRPV1 (0.49) TRPV1KDM4EMAPTALDH1A1KMT2A
SCHEMBL4778224 0.90 TRPV1 (0.53) TRPV1KDM4EMAPTGALK1ATM
SCHEMBL4778931 0.90 TRPV1 (0.55) TRPV1KDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL4779225 0.88 TRPV1 (0.61) TRPV1
SCHEMBL4777147 0.87 TRPV1 (0.52) TRPV1
SCHEMBL4779260 0.85 TRPV1 (0.52) TRPV1CYP3A4
SCHEMBL4779427 0.83 EPHX2 (0.51) TRPV1KDM4EMAPTALDH1A1KMT2A
SCHEMBL4780425 0.82 TRPV1 (0.49) TRPV1CYP3A4CCNE1CDK2CDK5
SCHEMBL4780244 0.82 TRPV1 (0.50) TRPV1CCNE1CDK2CDK5
SCHEMBL4778989 0.82 KDM4E (0.49) TRPV1KDM4EMAPTALDH1A1CYP3A4

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