SCHEMBL9687701

SCHEMBL9687701

COc1cc(C=CC(=O)N2CCN(C(=O)c3[nH]c(=O)c(CC(C)C)[n+]([O-])c3OC)CC2)ccc1O

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.51
ACHE P22303 10/20 0.49

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
SCHEMBL5029885 0.74 TRPV1 (0.87) TRPV1ACHE
SCHEMBL2123698 0.74 TRPV1 (0.87) TRPV1ACHE
SCHEMBL2123701 0.74 TRPV1 (0.87) TRPV1ACHE
SCHEMBL9687392 0.72 CYP1A2 (0.46) TRPV1
SCHEMBL2122818 0.71 L3MBTL1 (0.81) TRPV1ACHE
SCHEMBL2122822 0.71 L3MBTL1 (0.81) TRPV1ACHE
SCHEMBL11344094 0.71 TRPV1 (0.79) TRPV1ACHE
SCHEMBL17327997 0.70 TRPV1 (0.97) TRPV1ACHE
SCHEMBL2124735 0.69 TRPV1 (0.69) TRPV1ACHE
SCHEMBL2124730 0.69 TRPV1 (0.69) TRPV1ACHE

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-0511879-A1 Pyrazine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-04 EP disclosed