SCHEMBL7586137

SCHEMBL7586137

CCC(Cl)c1cc(N2CCN(CCO)CC2)cc(Br)c1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.39
DRD3 P35462 1/20 0.39
OPRM1 P35372 2/20 0.37
OPRK1 P41145 2/20 0.37
OPRL1 P41146 2/20 0.37
NSD2 O96028 1/20 0.35
PABPC1 P11940 1/20 0.35
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
DUSP3 P51452 1/20 0.34
PTPN5 P54829 1/20 0.34
PTPN11 Q06124 1/20 0.34
BCL2A1 Q16548 1/20 0.34
KDM4E B2RXH2 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
SCHEMBL7591694 0.88 DRD2 (0.39) DRD2DRD3OPRM1OPRK1OPRL1
SCHEMBL7584423 0.88 DRD2 (0.39) DRD2DRD3OPRM1OPRK1OPRL1
SCHEMBL7582764 0.87 DRD2 (0.38) DRD2DRD3OPRM1OPRK1OPRL1
SCHEMBL7585900 0.87 DRD2 (0.40) DRD2DRD3OPRM1OPRK1OPRL1
SCHEMBL7583581 0.83 SLC6A2 (0.32) DRD2KDM4EGAA
SCHEMBL7586573 0.80 KDM4E (0.36) DRD2DRD3ALDH1A1KDM4EGAA
SCHEMBL7582141 0.79 KDM4E (0.38) DRD2DRD3KDM4EGAA
SCHEMBL7581935 0.78 KDM4E (0.40) DRD2KDM4EGAA
SCHEMBL7581291 0.78 KDM4E (0.40) DRD2KDM4EGAA
SCHEMBL7582136 0.77 DRD2 (0.33) DRD2DRD3

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