SCHEMBL7584119

SCHEMBL7584119

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.39
CYP1A2 P05177 5/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP3A4 P08684 3/20 0.39
CYP2D6 P10635 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP2C19 P33261 2/20 0.39
TDP2 O95551 1/20 0.37
NSD2 O96028 1/20 0.37
PLA2G1B P04054 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37
MAP4K1 Q92918 1/20 0.37
PDK2 Q15119 1/20 0.37
CSF1R P07333 1/20 0.37
AGXT P21549 1/20 0.36
HSD17B10 Q99714 1/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL7591499 1.00 TACR1 (0.39) TACR1CYP1A2ALDH1A1CYP3A4CYP2D6
SCHEMBL7585760 1.00 TACR1 (0.39) TACR1CYP1A2ALDH1A1CYP3A4CYP2D6
SCHEMBL7583647 0.91 TACR1 (0.38) TACR1CYP1A2ALDH1A1CYP3A4CYP2D6
SCHEMBL7585740 0.90 DRD2 (0.44) LMNAHTR1ADRD2HTR2ADRD3
SCHEMBL7585162 0.90 CHRNA7 (0.42) ALDH1A1MEN1KMT2ALMNAHTR1A
SCHEMBL7583559 0.90 CYP1A2 (0.41) CYP1A2ALDH1A1CYP3A4CYP2D6CYP2C19
SCHEMBL7582205 0.88 DRD2 (0.38) ALDH1A1LMNAMAPK1HTR1ADRD2
SCHEMBL7590021 0.87 DRD2 (0.38) CYP1A2CYP2C19TDP2NSD2PLA2G1B
SCHEMBL7583453 0.87 DRD2 (0.38) CYP1A2CYP2C19TDP2NSD2PLA2G1B
SCHEMBL7590356 0.87 DRD2 (0.38) CYP1A2CYP2C19TDP2NSD2PLA2G1B

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