SCHEMBL10888269

SCHEMBL10888269

CCCCC(=O)N[C@H]1c2cc(C#N)ccc2OC(C)(C)[C@@H]1O

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ABCC9 O60706 8/20 0.67
▸ ABCB1 P08183 7/20 0.59
▸ KCNE1 P15382 4/20 0.55
▸ KCNQ1 P51787 4/20 0.55
▸ MEN1 O00255 1/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ CYP2D6 P10635 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ KCND3 Q9UK17 1/20 0.54

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
SCHEMBL9580588 0.91 ABCC9 (0.66) ABCC9ABCB1
SCHEMBL9580586 0.91 ABCC9 (0.66) ABCC9ABCB1
SCHEMBL9580590 0.91 ABCC9 (0.66) ABCC9ABCB1
SCHEMBL9398463 0.89 ABCC9 (0.69) ABCC9ABCB1
SCHEMBL10885395 0.89 ABCC9 (0.72) ABCC9ABCB1
SCHEMBL10888235 0.86 ABCC9 (0.71) ABCC9ABCB1
SCHEMBL10887155 0.86 ABCC9 (0.71) ABCC9ABCB1
SCHEMBL10888227 0.86 ABCC9 (0.71) ABCC9ABCB1
SCHEMBL10888239 0.86 ABCC9 (0.71) ABCC9ABCB1
SCHEMBL9354088 0.85 ABCC9 (0.64) ABCC9ABCB1KCNE1KCNQ1MEN1

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
EP-0095316-B1 PHARMACEUTICALLY ACTIVE AMINOBENZOPYRANS BEECHAM GROUP PLC (GB) 1986-12-03 — — EP claimed
EP-0095316-A1 Pharmaceutically active aminobenzopyrans BEECHAM GROUP PLC (GB) 1983-11-30 — — EP claimed
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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