SCHEMBL9397123

SCHEMBL9397123

CC1(C)Oc2ccc(C#N)cc2[C@@H](NC(Cc2ccccc2)=NC#N)[C@@H]1O

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 11/20 0.68
▸ 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
SCHEMBL9397112 1.00 ABCB1 (0.68) ABCB1ABCC9
SCHEMBL9397120 1.00 ABCB1 (0.68) ABCB1ABCC9
SCHEMBL9393302 0.91 ABCB1 (0.64) ABCB1ABCC9
SCHEMBL9393307 0.91 ABCB1 (0.64) ABCB1ABCC9
SCHEMBL9393310 0.91 ABCB1 (0.64) ABCB1ABCC9
SCHEMBL9195781 0.88 ABCC9 (0.62) ABCB1ABCC9
SCHEMBL9195774 0.88 ABCC9 (0.62) ABCB1ABCC9
SCHEMBL9195786 0.88 ABCC9 (0.62) ABCB1ABCC9
SCHEMBL9195768 0.88 ABCC9 (0.62) ABCB1ABCC9
SCHEMBL9195770 0.88 ABCC9 (0.62) ABCB1ABCC9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0412531-B1 Benzopyran compounds, processes for their production and pharmaceutical compositions KAKEN PHARMA CO LTD (JP) 1994-05-11 — — EP disclosed
US-5095016-A Hypotensive KAKEN PHARMACEUTICAL CO., LTD. (JP) 1992-03-10 — — US disclosed
EP-0412531-A1 Benzopyran compounds, processes for their production and pharmaceutical compositions Kaken Pharmaceutical Co., Ltd. (JP) 1991-02-13 — — EP disclosed
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