SCHEMBL9765408

SCHEMBL9765408

CCC1(CC)Oc2ccc(C#N)cc2[C@H](O)[C@H]1Br

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNE1 P15382 4/20 0.47
KCNQ1 P51787 4/20 0.47
MEN1 O00255 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.47
KCND3 Q9UK17 1/20 0.47
ABCB1 P08183 12/20 0.46
KDM4E B2RXH2 1/20 0.44
ABCC9 O60706 1/20 0.43

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
SCHEMBL9765425 1.00 KCNE1 (0.47) KCNE1KCNQ1MEN1CYP1A2CYP3A4
SCHEMBL9765413 1.00 KCNE1 (0.47) KCNE1KCNQ1MEN1CYP1A2CYP3A4
SCHEMBL8090416 0.82 KDM4E (0.56) KCNE1KCNQ1MEN1CYP1A2CYP3A4
SCHEMBL8090417 0.82 KDM4E (0.56) KCNE1KCNQ1MEN1CYP1A2CYP3A4
SCHEMBL8090414 0.82 KDM4E (0.56) KCNE1KCNQ1MEN1CYP1A2CYP3A4
SCHEMBL9766973 0.81 KCNE1 (0.47) KCNE1KCNQ1MEN1CYP1A2CYP3A4
SCHEMBL9766976 0.81 KCNE1 (0.47) KCNE1KCNQ1MEN1CYP1A2CYP3A4
SCHEMBL9766981 0.81 KCNE1 (0.47) KCNE1KCNQ1MEN1CYP1A2CYP3A4
SCHEMBL9209930 0.77 KDM4E (0.44) KCNE1KCNQ1ABCB1KDM4EABCC9
SCHEMBL9765458 0.77 ABCB1 (0.43) KCNE1KCNQ1MEN1CYP1A2CYP3A4

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
US-4988723-A Hypotensive agents, vasodilation FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-01-29 US disclosed
EP-0344747-A1 Benzopyran derivatives and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-12-06 EP disclosed