SCHEMBL8090464

SCHEMBL8090464

CCOC(=O)c1ccc(=O)n(C2c3cc(C#N)ccc3OC(C)(C)C2(C)O)n1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 10/20 0.39
ABCC9 O60706 5/20 0.39
KCNE1 P15382 3/20 0.38
KCNQ1 P51787 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C19 P33261 2/20 0.38
MEN1 O00255 1/20 0.38
CYP3A4 P08684 1/20 0.38
KMT2A Q03164 1/20 0.38
KCND3 Q9UK17 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ABCC8 Q09428 2/20 0.37
KCNJ11 Q14654 2/20 0.37
KCNJ8 Q15842 2/20 0.37
CYP2C9 P11712 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL7267196 0.84 ABCC9 (0.51) ABCB1ABCC9KCNE1KCNQ1CYP1A2
SCHEMBL8090511 0.82 ABCC9 (0.40) ABCB1ABCC9KCNE1KCNQ1CYP1A2
SCHEMBL8090585 0.82 ABCC9 (0.39) ABCB1ABCC9KCNE1KCNQ1CYP1A2
SCHEMBL8085312 0.81 ABCC9 (0.40) ABCB1ABCC9KCNE1KCNQ1CYP1A2
SCHEMBL8076906 0.78 ALDH1A1 (0.39) CYP1A2CYP2D6CYP2C19MEN1KMT2A
SCHEMBL8084438 0.77 ABCC9 (0.44) ABCB1ABCC9CYP1A2CYP2D6CYP2C19
SCHEMBL8085051 0.73 ABCC9 (0.42) ABCB1ABCC9KCNE1KCNQ1CYP1A2
SCHEMBL8088410 0.71 ABCC9 (0.41) ABCB1ABCC9KCNE1KCNQ1CYP1A2
SCHEMBL7267840 0.71 GABRA1 (0.41) ABCC9MEN1KMT2AKDM4E
SCHEMBL9372404 0.71 GABRA1 (0.39) ABCB1ABCC9KDM4E

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 5 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
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