SCHEMBL4785630

SCHEMBL4785630

O=C(Nc1cc(N2CCCC2=O)cc2[nH]ncc12)NC1CC2(CCC2)Oc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 19/20 0.48
NTRK1 P04629 1/20 0.43
CDK8 P49336 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41

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
SCHEMBL4747172 0.84 TRPV1 (0.56) TRPV1
SCHEMBL4786999 0.83 TRPV1 (0.50) TRPV1NTRK1
SCHEMBL4786184 0.83 TRPV1 (0.46) TRPV1NTRK1
SCHEMBL4786503 0.81 TRPV1 (0.66) TRPV1
SCHEMBL4786096 0.81 TRPV1 (0.50) TRPV1NTRK1
SCHEMBL4786152 0.81 TRPV1 (0.47) TRPV1NTRK1
SCHEMBL3319311 0.79 TRPV1 (0.65) TRPV1
SCHEMBL4350196 0.76 TRPV1 (0.66) TRPV1
SCHEMBL4350443 0.76 TRPV1 (0.61) TRPV1
SCHEMBL4788273 0.74 TRPV1 (0.70) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008110863-A1 INDAZOLE DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS GLENMARK PHARMACEUTICALS S.A. (US) 2008-09-18 WO claimed
WO-2008110863-A1 INDAZOLE DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS GLENMARK PHARMACEUTICALS S.A. (US) 2008-09-18 WO disclosed