SCHEMBL7590798

SCHEMBL7590798

CCCCOC(CC)c1cc(N2CCN(CC)CC2)cc(-c2ccccc2)c1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.40
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
HTR7 P34969 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
DPP4 P27487 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
ESR1 P03372 2/20 0.34
ESRRG P62508 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HTR1A P08908 1/20 0.34
ESRRB O95718 1/20 0.34
DRD2 P14416 1/20 0.34

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
SCHEMBL7581331 0.82 SYK (0.37) CHRNA7MAPK1RAB9AADORA2AADORA1
SCHEMBL7585552 0.82 CHRNA7 (0.41) CHRNA7MAPK1RAB9AADORA2AADORA1
SCHEMBL7583814 0.81 CHRNA7 (0.45) CHRNA7MAPK1ADORA2AADORA1HTR7
SCHEMBL7585102 0.81 CHRNA7 (0.45) CHRNA7ADORA2AADORA1HTR7ALDH1A1
SCHEMBL7585008 0.81 CHRNA7 (0.57) CHRNA7ADORA2AADORA1HTR7ALDH1A1
SCHEMBL7583536 0.80 CHRNA7 (0.43) CHRNA7ADORA2AADORA1HTR7ALDH1A1
SCHEMBL7583969 0.76 CHRNA7 (0.48) CHRNA7ADORA2AADORA1HTR7KMT2A
SCHEMBL7582087 0.75 CHRNA7 (0.50) CHRNA7ADORA2AADORA1HTR7ALDH1A1
SCHEMBL7586804 0.75 CHRNA7 (0.50) CHRNA7ADORA2AADORA1HTR7ALDH1A1
SCHEMBL7582941 0.74 CHRNA7 (0.49) CHRNA7ADORA2AADORA1HTR7ALDH1A1

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
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
EP-0675118-A2 Biphenylderivatives, process for their preparation and their use as medicaments Eisai Co., Ltd. (JP) 1995-10-04 EP disclosed