SCHEMBL9130780

SCHEMBL9130780

C[C@@](N)(CO)Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.47
IDO1 P14902 5/20 0.47
PNMT P11086 2/20 0.44
TAAR1 Q96RJ0 2/20 0.44
SIGMAR1 Q99720 4/20 0.41
TSHR P16473 1/20 0.40
SLC6A2 P23975 1/20 0.40
HTR2A P28223 1/20 0.40
SLC6A4 P31645 1/20 0.40
HRH1 P35367 1/20 0.40
HTR2B P41595 1/20 0.40
CHRNA4 P43681 1/20 0.40
SLC6A3 Q01959 1/20 0.40
VNN1 O95497 1/20 0.39
POLB P06746 2/20 0.39
IGF1R P08069 1/20 0.39
ALOX15 P16050 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL9422769 1.00 FDPS (0.47) FDPSIDO1PNMTTAAR1SIGMAR1
SCHEMBL141241 1.00 FDPS (0.47) FDPSIDO1PNMTTAAR1SIGMAR1
SCHEMBL12215710 0.81 SLC6A2 (0.61) FDPSIDO1PNMTTAAR1SIGMAR1
SCHEMBL9776061 0.78 PNMT (0.49) FDPSIDO1PNMTTAAR1SIGMAR1
SCHEMBL139768 0.77 FDPS (0.46) FDPSIDO1PNMTTAAR1SIGMAR1
SCHEMBL11251872 0.77 FDPS (0.58) FDPSIDO1PNMTTAAR1SIGMAR1
SCHEMBL74006 0.77 IDO1 (0.52) FDPSIDO1PNMTTAAR1SIGMAR1
SCHEMBL9775967 0.76 MAPT (0.64) FDPSIDO1PNMTTAAR1TSHR
Cericlamine SCHEMBL114233 0.76 FDPS (0.45) FDPSIDO1PNMTTAAR1SIGMAR1
Cericlamine SCHEMBL29359640 0.76 FDPS (0.45) FDPSIDO1PNMTTAAR1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5348980-A Antihistamines, antiallergens INSTITUTE DE RECHERCHE JOUVEINAL (FR) 1994-09-20 US claimed
JP-6025117-A None JP disclosed
JP-6025117-A None JP disclosed
US-5472970-A Allylaminoesters and their application in therapeutics INSTITUT DE RECHERCHE JOUVEINAL S.A. (FR) 1995-12-05 US disclosed
WO-1995010501-A1 ALLYLAMINOESTERS, METHOD FOR THEIR PREPARATION AND THERAPEUTIC USE THEREOF INSTITUT DE RECHERCHE JOUVEINAL (I.R.J.) (FR) 1995-04-20 WO disclosed
US-5348980-A Antihistamines, antiallergens INSTITUTE DE RECHERCHE JOUVEINAL (FR) 1994-09-20 US disclosed
US-5348980-A Antihistamines, antiallergens INSTITUTE DE RECHERCHE JOUVEINAL (FR) 1994-09-20 US disclosed
JP-H0625117-A NEW ENATIOMER DERIVED FROM (S)-2-AMINO-2-(3,4-DICHLOROBENZYL)-1-PROPANOL INST DE RECH JOUVEINAL 1994-02-01 JP disclosed
JP-H0625117-A NEW ENATIOMER DERIVED FROM (S)-2-AMINO-2-(3,4-DICHLOROBENZYL)-1-PROPANOL INST DE RECH JOUVEINAL 1994-02-01 JP disclosed