SCHEMBL9397689

SCHEMBL9397689

CN(OCc1ccccc1)C(=O)NC1c2cc(C#N)ccc2OC(C)(C)C1O

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.65
▸ ALOX15 P16050 1/20 0.65
▸ ABCB1 P08183 11/20 0.62
▸ ABCC9 O60706 8/20 0.58

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
SCHEMBL9397675 0.83 ABCB1 (0.64) CYP3A4ALOX15ABCB1ABCC9
SCHEMBL9398425 0.82 ABCB1 (0.62) CYP3A4ALOX15ABCB1ABCC9
SCHEMBL9269643 0.82 ABCB1 (0.70) CYP3A4ALOX15ABCB1ABCC9
SCHEMBL9269639 0.82 ABCB1 (0.70) CYP3A4ALOX15ABCB1ABCC9
SCHEMBL9269632 0.82 ABCB1 (0.70) CYP3A4ALOX15ABCB1ABCC9
SCHEMBL9550593 0.81 ABCC9 (0.71) ABCB1ABCC9
SCHEMBL9397785 0.81 ABCB1 (0.72) CYP3A4ALOX15ABCB1ABCC9
SCHEMBL9398637 0.81 ABCB1 (0.72) CYP3A4ALOX15ABCB1ABCC9
SCHEMBL9397702 0.81 ABCB1 (0.72) CYP3A4ALOX15ABCB1ABCC9
SCHEMBL9397727 0.80 ABCB1 (0.60) CYP3A4ALOX15ABCB1ABCC9

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5318969-A Hypotensive, vasodilating action and muscle relaxants YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1994-06-07 — — US disclosed
EP-0339562-B1 BENZOPYRAN COMPOUND AND ITS PHARMACEUTICAL USE YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1993-09-15 — — EP disclosed
US-5143936-A Benzopyran compound and its pharmaceutical use YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1992-09-01 — — US disclosed
US-5021432-A Hypotensive agents YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1991-06-04 — — US disclosed
EP-0339562-A1 Benzopyran compound and its pharmaceutical use YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1989-11-02 — — EP disclosed
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