SCHEMBL9397702

SCHEMBL9397702

CC1(C)Oc2ccc(C#N)cc2[C@@H](NOCc2ccccc2)[C@@H]1O

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 12/20 0.72
▸ CYP3A4 P08684 1/20 0.60
▸ ALOX15 P16050 1/20 0.60
▸ ABCC9 O60706 6/20 0.59

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
SCHEMBL9398637 1.00 ABCB1 (0.72) ABCB1CYP3A4ALOX15ABCC9
SCHEMBL9397785 1.00 ABCB1 (0.72) ABCB1CYP3A4ALOX15ABCC9
SCHEMBL9397675 0.86 ABCB1 (0.64) ABCB1CYP3A4ALOX15ABCC9
SCHEMBL9394883 0.84 ABCB1 (1.00) ABCB1CYP3A4ALOX15ABCC9
SCHEMBL9394881 0.84 ABCB1 (1.00) ABCB1CYP3A4ALOX15ABCC9
SCHEMBL9394888 0.84 ABCB1 (1.00) ABCB1CYP3A4ALOX15ABCC9
SCHEMBL6268876 0.82 ABCB1 (0.80) ABCB1CYP3A4ALOX15ABCC9
SCHEMBL5868234 0.82 ABCB1 (0.80) ABCB1CYP3A4ALOX15ABCC9
SCHEMBL5868232 0.82 ABCB1 (0.80) ABCB1CYP3A4ALOX15ABCC9
SCHEMBL9397689 0.81 CYP3A4 (0.65) ABCB1CYP3A4ALOX15ABCC9

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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