SCHEMBL9766992

SCHEMBL9766992

CCCCC1(CCCC)Oc2ccc(C#N)cc2[C@H](N)[C@H]1O

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 0.43
KDM4E B2RXH2 1/20 0.41
ABCC9 O60706 1/20 0.40

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
SCHEMBL9766996 1.00 KCNE1 (0.47) KCNE1KCNQ1MEN1CYP1A2CYP3A4
SCHEMBL9767000 1.00 KCNE1 (0.47) KCNE1KCNQ1MEN1CYP1A2CYP3A4
SCHEMBL9766981 0.87 KCNE1 (0.47) KCNE1KCNQ1MEN1CYP1A2CYP3A4
SCHEMBL9766973 0.87 KCNE1 (0.47) KCNE1KCNQ1MEN1CYP1A2CYP3A4
SCHEMBL9766976 0.87 KCNE1 (0.47) KCNE1KCNQ1MEN1CYP1A2CYP3A4
SCHEMBL9532594 0.81 KCNE1 (0.50) KCNE1KCNQ1MEN1CYP1A2CYP3A4
SCHEMBL9767073 0.79 KCNE1 (0.43) KCNE1KCNQ1MEN1CYP1A2CYP3A4
SCHEMBL9767132 0.79 KCNE1 (0.49) KCNE1KCNQ1MEN1CYP1A2CYP3A4
SCHEMBL9767141 0.79 KCNE1 (0.49) KCNE1KCNQ1MEN1CYP1A2CYP3A4
SCHEMBL9767137 0.79 KCNE1 (0.49) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5072006-A Chemical intermeidate; hypotensive agents, muscle relaxants RECHERCHE SYNTEX FRANCE S.A. (FR) 1991-12-10 US disclosed
US-4997846-A Smooth muscle relaxants, hypotensives RESEARCHE SYNTEX FRANCE, S.A. (FR) 1991-03-05 US disclosed
EP-0377966-A2 Novel benzopyranylpyrrolinone derivatives RECHERCHE SYNTEX FRANCE SA (FR) 1990-07-18 EP disclosed