SCHEMBL7590356

SCHEMBL7590356

CC[C@H](F)c1cc(N2CCN(C)CC2)cc(-c2ccccc2CF)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.38
DRD4 P21917 3/20 0.38
HTR2C P28335 3/20 0.38
DRD3 P35462 2/20 0.38
HTR1A P08908 1/20 0.38
HTR2A P28223 1/20 0.38
TDP2 O95551 1/20 0.36
NSD2 O96028 1/20 0.36
PLA2G1B P04054 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
PDK2 Q15119 1/20 0.35
AGXT P21549 1/20 0.34
HTR3A P46098 1/20 0.33
HRH2 P25021 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
CYP1A2 P05177 1/20 0.32
ALOX15 P16050 1/20 0.32
CYP2C19 P33261 1/20 0.32
MAPK14 Q16539 1/20 0.32
ADRA2C P18825 1/20 0.32

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
SCHEMBL7590021 1.00 DRD2 (0.38) DRD2DRD4HTR2CDRD3HTR1A
SCHEMBL7583453 1.00 DRD2 (0.38) DRD2DRD4HTR2CDRD3HTR1A
SCHEMBL7583011 0.90 HTR2C (0.38) DRD2DRD4HTR2CDRD3HTR1A
SCHEMBL7586476 0.90 CHRNA7 (0.40) DRD2DRD4DRD3HRH2CYP2C19
SCHEMBL7583559 0.88 CYP1A2 (0.41) DRD2DRD4HTR2CDRD3HTR1A
SCHEMBL7591499 0.87 TACR1 (0.39) DRD2DRD4HTR2CDRD3HTR1A
SCHEMBL7584119 0.87 TACR1 (0.39) DRD2DRD4HTR2CDRD3HTR1A
SCHEMBL7585760 0.87 TACR1 (0.39) DRD2DRD4HTR2CDRD3HTR1A
SCHEMBL7583447 0.84 MET (0.40) DRD2DRD4HTR2CDRD3HTR1A
SCHEMBL7584813 0.83 HTR6 (0.39) HTR2ATDP2NSD2PLA2G1BATG4B

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 2 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