SCHEMBL8085191

SCHEMBL8085191

CCC1(CC)Oc2ccc(C#N)cc2C(Oc2ccc(O)nn2)C1(C)O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNE1 P15382 4/20 0.38
KCNQ1 P51787 4/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
KCND3 Q9UK17 1/20 0.38
ABCB1 P08183 9/20 0.37
ABCC9 O60706 4/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL8076898 0.91 KCNE1 (0.38) KCNE1KCNQ1MEN1CYP1A2CYP3A4
SCHEMBL7273801 0.89 ABCC9 (0.39) ABCB1ABCC9KDM4E
SCHEMBL8085269 0.84 ABCC9 (0.36) KCNE1KCNQ1MEN1CYP1A2CYP3A4
SCHEMBL8085394 0.84 ABCC9 (0.36) KCNE1KCNQ1MEN1CYP1A2CYP3A4
SCHEMBL8088949 0.83 ABCC9 (0.36) KCNE1KCNQ1MEN1CYP1A2CYP3A4
SCHEMBL8076956 0.83 ABCC9 (0.36) KCNE1KCNQ1MEN1CYP1A2CYP3A4
SCHEMBL8090688 0.81 KCNE1 (0.38) KCNE1KCNQ1MEN1CYP1A2CYP3A4
SCHEMBL7323624 0.80 ABCC9 (0.40) ABCB1ABCC9KDM4E
SCHEMBL8077326 0.80 ABCB1 (0.34) KCNE1KCNQ1MEN1CYP1A2CYP3A4
SCHEMBL8084236 0.78 KDM4E (0.41) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6153627-A Chroman derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-11-28 US disclosed
US-6040308-A Chroman derivatives MERCK GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-03-21 US disclosed
US-5387587-A Chroman derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-02-07 US disclosed
EP-0340718-B1 Chroman derivatives MERCK PATENT GMBH (DE) 1994-07-20 EP disclosed
US-5013853-A Chroman derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-05-07 US disclosed
EP-0340718-A1 Chroman derivatives MERCK PATENT GmbH (DE) 1989-11-08 EP disclosed