SCHEMBL7590706

SCHEMBL7590706

CC[C@@H](F)c1cc(N2CCNCC2)cc(-c2ccccc2C#N)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
DRD2 P14416 2/20 0.38
DRD3 P35462 2/20 0.38
ALDH1A1 P00352 1/20 0.37
OPRL1 P41146 1/20 0.35
MAPK14 Q16539 1/20 0.35
SOS1 Q07889 1/20 0.35
HTR1A P08908 3/20 0.34
HTR7 P34969 3/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A2 P23975 1/20 0.34
ADRB1 P08588 3/20 0.34

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
SCHEMBL7588266 1.00 CYP1A2 (0.38) CYP1A2CYP3A4KDM4EMEN1LMNA
SCHEMBL7584813 0.89 HTR6 (0.39) CYP1A2CYP3A4KDM4EMEN1MAPT
SCHEMBL7583439 0.88 CHRNA7 (0.39) KDM4EMAPTDRD2DRD3SOS1
SCHEMBL7589752 0.84 DRD2 (0.36) MAPTDRD2DRD3OPRL1HTR1A
Hydrochloric Acid SCHEMBL7584884 0.84 DRD2 (0.35) MAPTDRD2DRD3OPRL1HTR1A
Hydrochloric Acid SCHEMBL7585021 0.84 DRD2 (0.35) MAPTDRD2DRD3OPRL1HTR1A
SCHEMBL7585752 0.79 RET (0.41) LMNADRD2HTR1AHTR7HTR2A
SCHEMBL7590671 0.74 CHRNB2 (0.45) CYP1A2CYP3A4DRD2DRD3HTR1A
SCHEMBL7584867 0.74 CHRNB2 (0.45) CYP1A2CYP3A4DRD2DRD3HTR1A
SCHEMBL7584119 0.73 TACR1 (0.39) CYP1A2CYP3A4MEN1LMNAKMT2A

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