SCHEMBL9691254

SCHEMBL9691254

COCCNC(=NC#N)N[C@H]1c2cc(C#N)ccc2OC(C)(C)[C@@H]1O

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ABCC9 O60706 9/20 0.57
▸ ABCB1 P08183 10/20 0.52

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
SCHEMBL9691262 1.00 ABCC9 (0.57) ABCC9ABCB1
SCHEMBL9765379 0.88 ABCC9 (0.56) ABCC9ABCB1
SCHEMBL9765368 0.88 ABCC9 (0.56) ABCC9ABCB1
SCHEMBL9765369 0.88 ABCC9 (0.56) ABCC9ABCB1
SCHEMBL9690344 0.87 ABCC9 (0.60) ABCC9ABCB1
SCHEMBL9765358 0.87 ABCC9 (0.60) ABCC9ABCB1
SCHEMBL9690339 0.87 ABCC9 (0.60) ABCC9ABCB1
SCHEMBL9690328 0.87 ABCC9 (0.55) ABCC9ABCB1
SCHEMBL9690309 0.87 ABCC9 (0.55) ABCC9ABCB1
SCHEMBL9690322 0.87 ABCC9 (0.55) ABCC9ABCB1

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
US-5140031-A Pyranyl cyanoguanidine derivatives E. R. SQUIBB & SONS, INC. (US) 1992-08-18 — — US disclosed
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