SCHEMBL7587203

SCHEMBL7587203

CC[C@@H](F)c1cc(N2CCN(CC)CC2)cc(-c2ccccc2C(F)(F)F)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.41
CHRNA7 P36544 1/20 0.39
SYK P43405 1/20 0.35
MAPT P10636 2/20 0.35
TRPA1 O75762 1/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
TP53 P04637 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
HSD11B1 P28845 3/20 0.33
SIGMAR1 Q99720 1/20 0.33
CACNA1G O43497 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33

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
SCHEMBL7590011 1.00 CNR2 (0.41) CNR2CHRNA7SYKMAPTTRPA1
SCHEMBL7584122 0.90 MAPT (0.38) MAPTCYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL7955784 0.90 MAPT (0.38) MAPTCYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL7585656 0.87 CHRNA7 (0.43) CNR2CHRNA7MAPTCHRM5CHRM1
SCHEMBL7585162 0.86 CHRNA7 (0.42) CNR2CHRNA7MAPTADORA2AADORA1
SCHEMBL7582663 0.85 CHRNA7 (0.41) CHRNA7MAPTCYP2C19CYP2D6ADORA2A
SCHEMBL7586476 0.84 CHRNA7 (0.40) CHRNA7MAPTCYP2C19CYP2D6ADORA2A
SCHEMBL7584430 0.84 CHRNA7 (0.47) CHRNA7SYKMAPTSIGMAR1ADORA2A
SCHEMBL7583655 0.83 CHRNA7 (0.39) CHRNA7CYP2C19CYP2D6ADORA2AADORA1
SCHEMBL7582493 0.83 HTR7 (0.42) CHRNA7CHRM5CHRM1CHRM3HTR7

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 3 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 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