SCHEMBL9211433

SCHEMBL9211433

CC(=O)N[C@H]1[C@H](O)c2cc(C#N)ccc2OC1(C)C

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 10/20 0.61
KDM4E B2RXH2 1/20 0.61
ABCB1 P08183 7/20 0.54
KCNE1 P15382 1/20 0.49
KCNQ1 P51787 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
SCHEMBL9211412 1.00 ABCC9 (0.61) ABCC9KDM4EABCB1KCNE1KCNQ1
SCHEMBL9211421 1.00 ABCC9 (0.61) ABCC9KDM4EABCB1KCNE1KCNQ1
SCHEMBL9214331 0.88 ABCC9 (0.56) ABCC9KDM4EABCB1KCNE1KCNQ1
SCHEMBL9214323 0.88 ABCC9 (0.56) ABCC9KDM4EABCB1KCNE1KCNQ1
SCHEMBL9215236 0.87 ABCB1 (0.56) ABCC9KDM4EABCB1
SCHEMBL9212222 0.87 ABCC9 (0.55) ABCC9KDM4EABCB1
SCHEMBL9217991 0.87 KDM4E (0.57) ABCC9KDM4EABCB1KCNE1KCNQ1
SCHEMBL9215247 0.87 ABCB1 (0.56) ABCC9KDM4EABCB1
SCHEMBL9217975 0.87 KDM4E (0.57) ABCC9KDM4EABCB1KCNE1KCNQ1
SCHEMBL9212230 0.87 ABCC9 (0.55) ABCC9KDM4EABCB1

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-0375449-B1 Benzopyran-type compounds BEECHAM GROUP PLC (GB) 1995-02-15 EP claimed
EP-0375449-A2 Benzopyran-type compounds BEECHAM GROUP PLC (GB) 1990-06-27 EP claimed
EP-0375449-B1 Benzopyran-type compounds BEECHAM GROUP PLC (GB) 1995-02-15 EP disclosed
EP-0375449-A2 Benzopyran-type compounds BEECHAM GROUP PLC (GB) 1990-06-27 EP disclosed