SCHEMBL7323149

SCHEMBL7323149

CC1(C)Oc2ccc(C#N)cc2C(Oc2ccnc(O)c2)C1O

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 9/20 0.56
KDM4E B2RXH2 1/20 0.47
ABCB1 P08183 6/20 0.46
KCNE1 P15382 3/20 0.44
KCNQ1 P51787 3/20 0.44
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
KCND3 Q9UK17 1/20 0.44

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
SCHEMBL7331043 0.91 ABCC9 (0.46) ABCC9KDM4EABCB1KCNE1KCNQ1
SCHEMBL7332368 0.88 ABCC9 (0.55) ABCC9KDM4EABCB1KCNE1KCNQ1
SCHEMBL7325382 0.88 ABCC9 (0.54) ABCC9KDM4EABCB1KCNE1KCNQ1
SCHEMBL7330073 0.87 ABCC9 (0.59) ABCC9KDM4EABCB1KCNE1KCNQ1
SCHEMBL8076996 0.86 ABCC9 (0.45) ABCC9KDM4EABCB1CYP3A4
SCHEMBL7324801 0.85 ABCC9 (0.43) ABCC9KDM4EABCB1KCNE1KCNQ1
SCHEMBL8084323 0.85 ABCC9 (0.56) ABCC9KDM4EABCB1KCNE1KCNQ1
SCHEMBL8084932 0.85 ABCC9 (0.40) ABCC9KDM4EABCB1KCNE1KCNQ1
SCHEMBL8076984 0.84 ABCC9 (0.56) ABCC9KDM4EABCB1KCNE1KCNQ1
SCHEMBL8088457 0.84 ABCC9 (0.40) ABCC9KDM4EABCB1CYP1A2CYP2D6

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 8 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 claimed
EP-0363883-A1 Chroman derivatives MERCK PATENT GmbH (DE) 1990-04-18 EP claimed
JP-2145584-A None JP disclosed
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
JP-H02145584-A CHROMAN DERIVATIVE MERCK PATENT GMBH 1990-06-05 JP disclosed
EP-0363883-A1 Chroman derivatives MERCK PATENT GmbH (DE) 1990-04-18 EP disclosed