SCHEMBL4778063

SCHEMBL4778063

O=C(Nc1cccc2cnccc12)NC1C2CN(S(=O)(=O)c3ccccc3Br)CC21

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 4/20 0.48
EPHX2 P34913 1/20 0.47
CNR1 P21554 1/20 0.46
TRPV1 Q8NER1 14/20 0.46

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
SCHEMBL4778894 0.90 EPHX2 (0.49) CHRM1EPHX2CNR1TRPV1
SCHEMBL4781101 0.89 EPHX2 (0.51) CHRM1EPHX2CNR1TRPV1
SCHEMBL4780962 0.89 KDM4E (0.47) CHRM1EPHX2CNR1TRPV1
SCHEMBL4779491 0.87 TRPV1 (0.51) EPHX2TRPV1
SCHEMBL4774265 0.86 TRPV1 (0.52) EPHX2CNR1TRPV1
SCHEMBL4779566 0.83 TRPV1 (0.50) EPHX2CNR1TRPV1
SCHEMBL4779435 0.83 EPHX2 (0.51) CHRM1EPHX2CNR1TRPV1
SCHEMBL4779427 0.82 EPHX2 (0.51) EPHX2CNR1TRPV1
SCHEMBL4776335 0.82 TRPV1 (0.53) EPHX2TRPV1
SCHEMBL4780425 0.81 TRPV1 (0.49) TRPV1

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 1 patent. 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 disclosed