SCHEMBL9398463

SCHEMBL9398463

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

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ABCC9 O60706 9/20 0.69
▸ ABCB1 P08183 10/20 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
SCHEMBL10888269 0.89 ABCC9 (0.67) ABCC9ABCB1
SCHEMBL10885395 0.89 ABCC9 (0.72) ABCC9ABCB1
SCHEMBL9580586 0.88 ABCC9 (0.66) ABCC9ABCB1
SCHEMBL9580588 0.88 ABCC9 (0.66) ABCC9ABCB1
SCHEMBL9580590 0.88 ABCC9 (0.66) ABCC9ABCB1
SCHEMBL10888235 0.88 ABCC9 (0.71) ABCC9ABCB1
SCHEMBL10888227 0.88 ABCC9 (0.71) ABCC9ABCB1
SCHEMBL10887155 0.88 ABCC9 (0.71) ABCC9ABCB1
SCHEMBL10888239 0.88 ABCC9 (0.71) ABCC9ABCB1
SCHEMBL9273379 0.86 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 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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