SCHEMBL10889481

SCHEMBL10889481

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

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ABCC9 O60706 9/20 0.66
▸ ABCB1 P08183 10/20 0.64

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
SCHEMBL10889496 1.00 ABCC9 (0.66) ABCC9ABCB1
SCHEMBL10889492 1.00 ABCC9 (0.66) ABCC9ABCB1
Water SCHEMBL9710826 0.88 ABCB1 (0.65) ABCC9ABCB1
SCHEMBL10847997 0.86 ABCB1 (0.56) ABCC9ABCB1
SCHEMBL10847989 0.86 ABCB1 (0.56) ABCC9ABCB1
Acetaldehyde SCHEMBL9397673 0.85 ABCC9 (0.64) ABCC9ABCB1
Formamide SCHEMBL9398663 0.85 ABCC9 (0.64) ABCC9ABCB1
SCHEMBL9193340 0.84 ABCC9 (0.59) ABCC9ABCB1
SCHEMBL9193344 0.84 ABCC9 (0.59) ABCC9ABCB1
SCHEMBL9193352 0.84 ABCC9 (0.59) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0095316-B1 PHARMACEUTICALLY ACTIVE AMINOBENZOPYRANS BEECHAM GROUP PLC (GB) 1986-12-03 — — EP disclosed
US-4568692-A LOWERING BLOOD PRESSURE BEECHAM GROUP P.L.C. 1986-02-04 — — US disclosed
US-4481214-A 4-Acylaminobenzopyrans useful as anti-hypertensive agents BEECHAM GROUP P.L.C. (GB) 1984-11-06 — — US disclosed
EP-0095316-A1 Pharmaceutically active aminobenzopyrans BEECHAM GROUP PLC (GB) 1983-11-30 — — EP disclosed
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