SCHEMBL9223748

SCHEMBL9223748

CC1(C)Oc2ccc(C#N)cc2[C@H](N(Cc2ncco2)c2ccccc2)[C@H]1O

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ABCC8 Q09428 1/20 0.60
▸ KCNJ11 Q14654 1/20 0.60
▸ ABCB1 P08183 10/20 0.58
▸ CYP3A4 P08684 2/20 0.54
▸ ALOX15 P16050 1/20 0.54
▸ KCNE1 P15382 3/20 0.51
▸ KCNQ1 P51787 3/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ KCND3 Q9UK17 1/20 0.51
▸ ABCC9 O60706 1/20 0.49

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
SCHEMBL9223755 1.00 ABCC8 (0.60) ABCC8KCNJ11ABCB1CYP3A4ALOX15
SCHEMBL9226251 0.91 ABCC8 (0.73) ABCC8KCNJ11ABCB1CYP3A4KCNE1
SCHEMBL8615650 0.91 ABCC8 (0.73) ABCC8KCNJ11ABCB1CYP3A4KCNE1
SCHEMBL9221568 0.85 ABCB1 (0.58) ABCC8KCNJ11ABCB1CYP3A4ALOX15
SCHEMBL27396845 0.85 ABCB1 (0.58) ABCC8KCNJ11ABCB1CYP3A4ALOX15
SCHEMBL9221561 0.85 ABCB1 (0.58) ABCC8KCNJ11ABCB1CYP3A4ALOX15
SCHEMBL8613044 0.84 ABCB1 (0.55) ABCC8KCNJ11ABCB1CYP3A4ALOX15
SCHEMBL9230018 0.84 ABCB1 (0.55) ABCC8KCNJ11ABCB1CYP3A4ALOX15
SCHEMBL9224850 0.84 ABCC8 (0.84) ABCC8KCNJ11ABCB1CYP3A4ALOX15
SCHEMBL9228809 0.84 ABCB1 (0.54) ABCC8KCNJ11ABCB1CYP3A4ALOX15

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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