SCHEMBL7582641

SCHEMBL7582641

CC(=O)c1ccc(C2CNCCN2Cc2ccccc2)cc1.COc1c(-c2ccccc2)cc2cc1-2

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRK1 P41145 1/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA4 P22748 2/20 0.38
CA9 Q16790 2/20 0.38
NPSR1 Q6W5P4 1/20 0.37
CHRM3 P20309 1/20 0.37
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
KDM2B Q8NHM5 1/20 0.35
OPRD1 P41143 1/20 0.35
USP19 O94966 1/20 0.35

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
SCHEMBL7582099 0.91 OPRD1 (0.36) POLBOPRD1USP19
SCHEMBL7581329 0.90 OPRD1 (0.36) POLBOPRD1USP19
SCHEMBL7585368 0.78 POLB (0.39) POLBUSP19
SCHEMBL7590732 0.77 POLB (0.43) POLBMEN1HTTKMT2A
SCHEMBL7587163 0.74 OPRD1 (0.38) MEN1HTTKMT2ACRHBPCRHR2
SCHEMBL11709265 0.73 TACR1 (0.48) POLBMEN1KMT2A
SCHEMBL1579802 0.73 SIGMAR1 (0.50) MEN1KMT2A
SCHEMBL11707128 0.73 SIGMAR1 (0.51) OPRM1OPRK1
SCHEMBL21105516 0.71 RORC (0.46)
SCHEMBL31612476 0.71 SIGMAR1 (0.45) MEN1KMT2A

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
EP-0675118-B1 Biphenylderivatives, process for their preparation and their use as medicaments EISAI CO LTD (JP) 2002-10-09 EP claimed
EP-0675118-A2 Biphenylderivatives, process for their preparation and their use as medicaments Eisai Co., Ltd. (JP) 1995-10-04 EP claimed
EP-0675118-B1 Biphenylderivatives, process for their preparation and their use as medicaments EISAI CO LTD (JP) 2002-10-09 EP disclosed
US-6281214-B1 USEFUL FOR TREATING AND AMELIORATING MENTAL DISORDERS EISAI CO., LTD (JP) 2001-08-28 US disclosed
US-5849912-A Biphenyl derivatives EISAI CO., LTD. (JP) 1998-12-15 US disclosed
EP-0675118-A2 Biphenylderivatives, process for their preparation and their use as medicaments Eisai Co., Ltd. (JP) 1995-10-04 EP disclosed