SCHEMBL4041903

SCHEMBL4041903

O=C(O)Nc1cccc2cnccc12.O=C1CSc2ccc(CNC3CCCCC3)cc2N1

nearest known ligand 0.43

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 20/20 0.43

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
SCHEMBL4497830 0.88 TRPV1 (0.43) TRPV1
SCHEMBL3572972 0.88 TRPV1 (0.43) TRPV1
SCHEMBL5260210 0.76 PDGFRB (0.41)
SCHEMBL5264336 0.76 KCNH2 (0.52)
SCHEMBL5260758 0.72 HTT (0.49) TRPV1
SCHEMBL5263446 0.72 HTT (0.49) TRPV1
SCHEMBL5252685 0.71 HTT (0.47) TRPV1
SCHEMBL4043254 0.69 KCNH2 (0.46)
SCHEMBL5503903 0.69 HTT (0.46)
SCHEMBL30114438 0.68 TRPV1 (0.64) 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
EP-1537123-B1 AMINO-SUBSTITUTED CYCLOHEXANE DERIVATIVES FOR THE TREATMENT OF BACTERIAL INFECTIONS GLAXO GROUP LTD (GB) 2009-04-29 EP claimed