SCHEMBL7370883

SCHEMBL7370883

CC(=O)NCC1CN(Cc2ccc(F)cc2)CCO1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.58
DRD3 P35462 2/20 0.58
MEN1 O00255 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
HTR1A P08908 1/20 0.58
ADRA2A P08913 1/20 0.58
ADORA3 P0DMS8 1/20 0.58
CYP2C9 P11712 1/20 0.58
ADRA2B P18089 1/20 0.58
HTR2C P28335 1/20 0.58
SLC6A4 P31645 1/20 0.58
CYP2C19 P33261 1/20 0.58
HTR2B P41595 1/20 0.58
KMT2A Q03164 1/20 0.58
KCNH2 Q12809 1/20 0.58
SIGMAR1 Q99720 1/20 0.58
DRD4 P21917 11/20 0.56
CCR3 P51677 1/20 0.51
POLB P06746 2/20 0.46

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
SCHEMBL7494112 0.88 LMNA (0.57) LMNADRD3MEN1CYP1A2CYP3A4
SCHEMBL1502120 0.88 DRD4 (0.59) DRD3CYP1A2CYP3A4CYP2C9DRD4
SCHEMBL30211808 0.87 DRD4 (0.56) LMNADRD3MEN1CYP1A2CYP3A4
SCHEMBL8325700 0.87 DRD4 (0.55) LMNADRD3MEN1CYP1A2CYP3A4
SCHEMBL8327676 0.86 DRD4 (0.64) LMNADRD3MEN1CYP1A2CYP3A4
SCHEMBL1810573 0.86 CCR3 (0.67) LMNADRD3MEN1CYP1A2CYP3A4
SCHEMBL1810572 0.86 CCR3 (0.67) LMNADRD3MEN1CYP1A2CYP3A4
SCHEMBL30211803 0.86 CCR3 (0.67) LMNADRD3MEN1CYP1A2CYP3A4
SCHEMBL5832855 0.86 LMNA (0.53) LMNADRD3MEN1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL30211801 0.85 CCR3 (0.66) LMNADRD3MEN1CYP1A2CYP3A4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2011016750-A METHOD FOR PURIFYING 2-ACETYLAMINOMETHYL-4-(4-FLUOROBENZYL)MORPHOLINE TOKUYAMA CORP 2011-01-27 JP disclosed
JP-2011016750-A METHOD FOR PURIFYING 2-ACETYLAMINOMETHYL-4-(4-FLUOROBENZYL)MORPHOLINE TOKUYAMA CORP 2011-01-27 JP disclosed
EP-0243959-B1 SUBSTITUTED BENZAMIDE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Dainippon Pharmaceutical Co., Ltd. (JP) 1992-08-19 EP disclosed
US-4870074-A Substituted benzamide derivatives, for enhancing gastrointestinal motility DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1989-09-26 US disclosed
EP-0243959-A1 Substituted benzamide derivatives, processes for the preparation thereof, and pharmaceutical compositions containing the same Dainippon Pharmaceutical Co., Ltd. (JP) 1987-11-04 EP disclosed