SCHEMBL4779435

SCHEMBL4779435

O=C(Nc1cccc2cnccc12)NC1C2CN(S(=O)(=O)c3ccc(Cl)cc3Cl)CC21

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.51
TRPV1 Q8NER1 15/20 0.48
CNR1 P21554 1/20 0.48
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
BLM P54132 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CHRM1 P11229 2/20 0.42

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
SCHEMBL4781101 0.90 EPHX2 (0.51) EPHX2TRPV1CNR1CHRM1
SCHEMBL4776335 0.87 TRPV1 (0.53) EPHX2TRPV1ALDH1A1LMNAHPGD
SCHEMBL4779566 0.86 TRPV1 (0.50) EPHX2TRPV1CNR1
SCHEMBL4778894 0.84 EPHX2 (0.49) EPHX2TRPV1CNR1CHRM1
SCHEMBL4780962 0.83 KDM4E (0.47) EPHX2TRPV1CNR1ALDH1A1CHRM1
SCHEMBL4778063 0.83 CHRM1 (0.48) EPHX2TRPV1CNR1CHRM1
SCHEMBL4779491 0.82 TRPV1 (0.51) EPHX2TRPV1HTTBLM
SCHEMBL4779427 0.80 EPHX2 (0.51) EPHX2TRPV1CNR1ALDH1A1SMN1; SMN2
SCHEMBL4774265 0.80 TRPV1 (0.52) EPHX2TRPV1CNR1
SCHEMBL4780970 0.78 TRPV1 (0.63) TRPV1ALDH1A1LMNAHPGDHTT

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