SCHEMBL7584797

SCHEMBL7584797

CCCS(=O)(=O)c1cc(N2CCN(C)CC2)cc(-c2ccccc2Cl)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.42
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALOX15 P16050 1/20 0.40
CYP2C19 P33261 1/20 0.40
DRD2 P14416 3/20 0.39
CNR1 P21554 2/20 0.39
CNR2 P34972 2/20 0.39
HTR2A P28223 2/20 0.39
HTR7 P34969 1/20 0.39
TDP2 O95551 1/20 0.39
NSD2 O96028 1/20 0.39
PLA2G1B P04054 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
ALDH1A1 P00352 1/20 0.38
PIK3C3 Q8NEB9 1/20 0.38
HRH4 Q9H3N8 1/20 0.37
HSD11B1 P28845 1/20 0.37

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
SCHEMBL8625881 0.82 BRD4 (0.45) HTR6CYP1A2CYP3A4CYP2D6HSD17B10
SCHEMBL7583617 0.81 CHRNA7 (0.40) HTR6DRD2HRH4DRD3HTR1A
SCHEMBL8625656 0.78 PGAM1 (0.41) CYP1A2CYP3A4CYP2D6HSD17B10ALOX15
SCHEMBL8625789 0.78 BRD4 (0.43) HTR6CYP1A2CYP3A4CYP2D6HSD17B10
SCHEMBL7582660 0.78 CHRNA7 (0.45) HTR6DRD2HRH4DRD3
SCHEMBL8624803 0.75 ALDH1A1 (0.44) HTR6CYP1A2CYP3A4CYP2D6HSD17B10
SCHEMBL7582940 0.73 CYP1A2 (0.40) HTR6CYP1A2CYP3A4CYP2D6HSD17B10
SCHEMBL7583559 0.73 CYP1A2 (0.41) HTR6CYP1A2CYP3A4CYP2D6HSD17B10
SCHEMBL8628033 0.72 ALDH1A1 (0.42) HTR6CYP1A2CYP3A4CYP2D6HSD17B10
SCHEMBL8624605 0.72 BRD4 (0.47) TDP2NSD2PLA2G1BATG4BALDH1A1

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