SCHEMBL9690450

SCHEMBL9690450

CC1(C)Oc2ccc(C#N)cc2[C@H](NC(=O)Cc2ccccc2O)[C@H]1O

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ABCC9 O60706 10/20 0.62
▸ ABCB1 P08183 9/20 0.61

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
SCHEMBL9269639 0.87 ABCB1 (0.70) ABCC9ABCB1
SCHEMBL9269632 0.87 ABCB1 (0.70) ABCC9ABCB1
SCHEMBL9269643 0.87 ABCB1 (0.70) ABCC9ABCB1
SCHEMBL10885395 0.83 ABCC9 (0.72) ABCC9ABCB1
SCHEMBL10888227 0.82 ABCC9 (0.71) ABCC9ABCB1
SCHEMBL10887155 0.82 ABCC9 (0.71) ABCC9ABCB1
SCHEMBL10888235 0.82 ABCC9 (0.71) ABCC9ABCB1
SCHEMBL10888239 0.82 ABCC9 (0.71) ABCC9ABCB1
SCHEMBL9398463 0.81 ABCC9 (0.69) ABCC9ABCB1
SCHEMBL9273381 0.81 ABCC9 (0.78) 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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