SCHEMBL9221561

SCHEMBL9221561

CC1(C)Oc2ccc(C#N)cc2[C@H](N(Cc2ccco2)c2ccccc2)[C@H]1O

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 10/20 0.58
▸ ABCC8 Q09428 1/20 0.55
▸ KCNJ11 Q14654 1/20 0.55
▸ CYP3A4 P08684 2/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ KCNE1 P15382 4/20 0.52
▸ KCNQ1 P51787 4/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ KCND3 Q9UK17 1/20 0.52

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
SCHEMBL27396845 1.00 ABCB1 (0.58) ABCB1ABCC8KCNJ11CYP3A4ALOX15
SCHEMBL9221568 1.00 ABCB1 (0.58) ABCB1ABCC8KCNJ11CYP3A4ALOX15
SCHEMBL8616445 0.88 ABCC8 (0.54) ABCB1ABCC8KCNJ11CYP3A4ALOX15
SCHEMBL9228326 0.88 ABCC8 (0.54) ABCB1ABCC8KCNJ11CYP3A4ALOX15
SCHEMBL27397243 0.86 ABCC8 (0.53) ABCB1ABCC8KCNJ11CYP3A4ALOX15
SCHEMBL9228458 0.86 ABCC8 (0.53) ABCB1ABCC8KCNJ11CYP3A4ALOX15
SCHEMBL8612556 0.86 ABCC8 (0.53) ABCB1ABCC8KCNJ11CYP3A4ALOX15
SCHEMBL9226176 0.85 CYP3A4 (0.51) ABCB1ABCC8KCNJ11CYP3A4ALOX15
SCHEMBL8612357 0.85 CYP3A4 (0.51) ABCB1ABCC8KCNJ11CYP3A4ALOX15
SCHEMBL9223748 0.85 ABCC8 (0.60) ABCB1ABCC8KCNJ11CYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0648758-A1 4-Arylamino-benzopyran and related compounds BRISTOL-MYERS SQUIBB COMPANY (US) 1995-04-19 — — EP claimed
EP-0648758-A1 4-Arylamino-benzopyran and related compounds BRISTOL-MYERS SQUIBB COMPANY (US) 1995-04-19 — — EP disclosed
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