SCHEMBL7581331

SCHEMBL7581331

CCC(OCc1ccccn1)c1cc(N2CCN(CC)CC2)cc(-c2ccccc2)c1OC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 5/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
HTR7 P34969 1/20 0.37
CHRNA7 P36544 1/20 0.36
CD274 Q9NZQ7 2/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPK1 P28482 2/20 0.34
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 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
SCHEMBL7585918 0.84 ADORA2A (0.38) SYKADORA2AADORA1HTR7CHRNA7
SCHEMBL7590798 0.82 CHRNA7 (0.40) ADORA2AADORA1HTR7CHRNA7DRD2
SCHEMBL7585102 0.78 CHRNA7 (0.45) SYKADORA2AADORA1HTR7CHRNA7
SCHEMBL7582058 0.78 KMT2A (0.46) SYKADORA2AADORA1HTR7CHRNA7
SCHEMBL7583814 0.78 CHRNA7 (0.45) ADORA2AADORA1HTR7CHRNA7KDM4E
SCHEMBL7585008 0.77 CHRNA7 (0.57) ADORA2AADORA1HTR7CHRNA7DRD2
SCHEMBL7583536 0.74 CHRNA7 (0.43) SYKADORA2AADORA1HTR7CHRNA7
SCHEMBL7583442 0.73 ADORA2A (0.38) SYKADORA2AADORA1HTR7CHRNA7
SCHEMBL7585552 0.72 CHRNA7 (0.41) SYKADORA2AADORA1HTR7CHRNA7
SCHEMBL7585002 0.72 HTR1A (0.42) ADORA2AADORA1CHRNA7DRD2DRD3

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