SCHEMBL9354088

SCHEMBL9354088

CCCCNC(=O)NC1c2cc(C#N)ccc2OC(C)(C)C1O

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ABCC9 O60706 8/20 0.64
▸ ABCB1 P08183 7/20 0.57
▸ KCNE1 P15382 4/20 0.53
▸ KCNQ1 P51787 4/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ CYP2D6 P10635 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ KCND3 Q9UK17 1/20 0.53

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 0.85 ABCC9 (0.67) ABCC9ABCB1KCNE1KCNQ1MEN1
SCHEMBL9765369 0.85 ABCC9 (0.56) ABCC9ABCB1KCNE1KCNQ1
SCHEMBL9765368 0.85 ABCC9 (0.56) ABCC9ABCB1KCNE1KCNQ1
SCHEMBL9765379 0.85 ABCC9 (0.56) ABCC9ABCB1KCNE1KCNQ1
SCHEMBL9354137 0.84 ABCC9 (0.73) ABCC9ABCB1
SCHEMBL10885395 0.83 ABCC9 (0.72) ABCC9ABCB1
SCHEMBL9273381 0.82 ABCC9 (0.78) ABCC9ABCB1
SCHEMBL9273375 0.82 ABCC9 (0.78) ABCC9ABCB1
SCHEMBL9273379 0.82 ABCC9 (0.78) ABCC9ABCB1
SCHEMBL9532318 0.82 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4575511-A Anti-hypertensive chromanol derivatives BEECHAM GROUP P.L.C. (GB) 1986-03-11 — — US claimed
EP-0126367-B1 Chroman and chromene derivatives BEECHAM GROUP PLC (GB) 1994-10-12 — — EP disclosed
US-4575511-A Anti-hypertensive chromanol derivatives BEECHAM GROUP P.L.C. (GB) 1986-03-11 — — US disclosed
EP-0126367-A1 Chroman and chromene derivatives BEECHAM GROUP PLC (GB) 1984-11-28 — — EP disclosed
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