SCHEMBL4779514

SCHEMBL4779514

Cc1ccc(N2CC3C(C2)C3NC(=O)Nc2cccc3cnccc23)c(C)c1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.53
ALDH1A1 P00352 4/20 0.53
MAPT P10636 4/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
EPHX2 P34913 1/20 0.51
KMT2A Q03164 2/20 0.50
TRPV1 Q8NER1 15/20 0.48
CYP3A4 P08684 2/20 0.46
MEN1 O00255 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
Hydrochloric Acid SCHEMBL4780345 0.82 TRPV1 (0.56) TRPV1CYP3A4
SCHEMBL4780302 0.82 TRPV1 (0.52) KDM4EALDH1A1MAPTTRPV1CYP3A4
SCHEMBL4781057 0.81 TRPV1 (0.55) TRPV1CYP3A4
SCHEMBL4778197 0.81 KDM4E (0.53) KDM4EALDH1A1MAPTSMN1; SMN2TRPV1
SCHEMBL4776314 0.81 TRPV1 (0.56) KMT2ATRPV1MEN1
SCHEMBL4774396 0.81 TRPV1 (0.49) KDM4EALDH1A1MAPTSMN1; SMN2EPHX2
SCHEMBL4778207 0.81 TRPV1 (0.49) KDM4EALDH1A1MAPTSMN1; SMN2EPHX2
SCHEMBL4779427 0.79 EPHX2 (0.51) KDM4EALDH1A1MAPTSMN1; SMN2EPHX2
Trifluoroacetic Acid SCHEMBL4777995 0.79 TRPV1 (0.52) TRPV1CYP3A4
SCHEMBL4773951 0.79 TRPV1 (0.56) ALDH1A1MAPTKMT2ATRPV1CYP3A4

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