SCHEMBL8085394

SCHEMBL8085394

CC1(O)C(Oc2ccc(O)nn2)c2cc(C#N)ccc2OC12CCC2

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 6/20 0.36
ABCC8 Q09428 2/20 0.36
KCNJ11 Q14654 2/20 0.36
KCNJ8 Q15842 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2C9 P11712 1/20 0.36
LMNA P02545 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ABCB1 P08183 7/20 0.34
KCNE1 P15382 3/20 0.33
KCNQ1 P51787 3/20 0.33
MEN1 O00255 1/20 0.33
CYP3A4 P08684 1/20 0.33
KMT2A Q03164 1/20 0.33
KCND3 Q9UK17 1/20 0.33

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
SCHEMBL8085269 0.98 ABCC9 (0.36) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL8076956 0.97 ABCC9 (0.36) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL8088949 0.97 ABCC9 (0.36) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL7273801 0.87 ABCC9 (0.39) ABCC9KDM4EABCB1
SCHEMBL8085191 0.84 KCNE1 (0.38) ABCC9CYP1A2CYP2D6CYP2C19KDM4E
SCHEMBL8076898 0.83 KCNE1 (0.38) ABCC9CYP1A2CYP2D6CYP2C19KDM4E
SCHEMBL7323624 0.79 ABCC9 (0.40) ABCC9KDM4EABCB1
SCHEMBL8077326 0.78 ABCB1 (0.34) ABCC9CYP1A2CYP2D6CYP2C19KDM4E
SCHEMBL8084236 0.77 KDM4E (0.41) ABCC9CYP1A2CYP2D6CYP2C19KDM4E
SCHEMBL7323808 0.77 KDM4E (0.37) ABCC9ABCC8KCNJ11KCNJ8CYP1A2

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