SCHEMBL9394888

SCHEMBL9394888

CC1(C)Oc2ccc(C#N)cc2[C@@H](NCc2ccccc2)[C@@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 11/20 1.00
▸ ABCC9 O60706 7/20 0.62
▸ CYP3A4 P08684 1/20 0.55
▸ ALOX15 P16050 1/20 0.55

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
SCHEMBL9394881 1.00 ABCB1 (1.00) ABCB1ABCC9CYP3A4ALOX15
SCHEMBL9394883 1.00 ABCB1 (1.00) ABCB1ABCC9CYP3A4ALOX15
SCHEMBL5868234 0.89 ABCB1 (0.80) ABCB1ABCC9CYP3A4ALOX15
SCHEMBL5868232 0.89 ABCB1 (0.80) ABCB1ABCC9CYP3A4ALOX15
SCHEMBL6268876 0.89 ABCB1 (0.80) ABCB1ABCC9CYP3A4ALOX15
SCHEMBL9393948 0.88 ABCB1 (0.79) ABCB1ABCC9
SCHEMBL10866418 0.84 ABCB1 (0.73) ABCB1ABCC9CYP3A4
SCHEMBL8839473 0.84 ABCB1 (0.73) ABCB1ABCC9CYP3A4
SCHEMBL8612409 0.84 ABCB1 (0.72) ABCB1ABCC9
SCHEMBL9397785 0.84 ABCB1 (0.72) ABCB1ABCC9CYP3A4ALOX15

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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