SCHEMBL7326764

SCHEMBL7326764

CCn1ccc(OC2c3cc(C#N)ccc3OC(C)(C)C2(C)O)cc1=O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 6/20 0.39
KCNE1 P15382 3/20 0.39
KCNQ1 P51787 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C19 P33261 2/20 0.39
MEN1 O00255 1/20 0.39
CYP3A4 P08684 1/20 0.39
KMT2A Q03164 1/20 0.39
KCND3 Q9UK17 1/20 0.39
ABCB1 P08183 9/20 0.38
ABCC8 Q09428 2/20 0.38
KCNJ11 Q14654 2/20 0.38
KCNJ8 Q15842 2/20 0.38
CYP2C9 P11712 1/20 0.38
LMNA P02545 1/20 0.38
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
SCHEMBL7362920 0.87 ABCB1 (0.40) ABCC9CYP1A2CYP2D6CYP2C19ABCB1
SCHEMBL7332376 0.82 ABCC9 (0.49) ABCC9KCNE1KCNQ1CYP1A2CYP2D6
SCHEMBL7394642 0.79 ABCC9 (0.39) ABCC9KCNE1KCNQ1CYP1A2CYP2D6
SCHEMBL8084949 0.79 ABCB1 (0.40) ABCC9CYP1A2CYP2D6CYP2C19ABCB1
SCHEMBL7326400 0.77 ABCC9 (0.43) ABCC9ABCB1KDM4E
SCHEMBL7325525 0.76 ABCB1 (0.39) ABCC9ABCB1KDM4E
SCHEMBL8085051 0.76 ABCC9 (0.42) ABCC9KCNE1KCNQ1CYP1A2CYP2D6
SCHEMBL7330766 0.75 ABCB1 (0.40) ABCC9CYP1A2CYP2D6CYP2C19ABCB1
SCHEMBL7394639 0.75 ABCC9 (0.39) ABCC9KCNE1KCNQ1CYP1A2CYP2D6
SCHEMBL7329956 0.75 ABCB1 (0.38) ABCC9ABCB1KDM4E

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 7 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-0363883-A1 Chroman derivatives MERCK PATENT GmbH (DE) 1990-04-18 EP disclosed
EP-0340718-A1 Chroman derivatives MERCK PATENT GmbH (DE) 1989-11-08 EP disclosed