SCHEMBL11028342

SCHEMBL11028342

CN(C)C(=O)Cc1cccc(Cl)c1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.50
PNMT P11086 1/20 0.48
TAAR1 Q96RJ0 1/20 0.44
PTPRC P08575 1/20 0.43
PTPRG P23470 1/20 0.43
SLC6A4 P31645 4/20 0.43
SLC6A2 P23975 3/20 0.43
SLC6A3 Q01959 2/20 0.43
IDO1 P14902 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
KCNH2 Q12809 1/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.41
AKR1B1 P15121 1/20 0.41
P2RX7 Q99572 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL11331947 0.87 SIGMAR1 (0.51) HTTTAAR1ALDH1A1
SCHEMBL8984622 0.79 PNMT (0.54) PNMTTAAR1PTPRCPTPRGIDO1
SCHEMBL10887037 0.78 PTGS2 (0.69) CYP3A4LMNATSHRKMT2A
SCHEMBL6194277 0.78 PNMT (0.58) PNMTTAAR1PTPRCPTPRGIDO1
SCHEMBL2547244 0.76 AKR1B1 (0.63) PNMTTAAR1IDO1TSHRAKR1B1
SCHEMBL3086828 0.76 PNMT (0.56) PNMTTAAR1PTPRCPTPRGIDO1
SCHEMBL6961042 0.76 PNMT (0.56) PNMTTAAR1PTPRCPTPRGIDO1
SCHEMBL29965785 0.75 NLRP3 (0.51) HTTPNMTIDO1ALDH1A1LMNA
SCHEMBL8754119 0.75 LMNA (0.49) PNMTTAAR1PTPRCPTPRGSLC6A4
SCHEMBL705708 0.75 NLRP3 (0.51) HTTPNMTIDO1ALDH1A1LMNA

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-0044119-B1 PROCESS FOR THE PREPARATION OF COPOLYMERS OF ETHYLENE WITH AT LEAST ONE OTHER 1-ALKENE STAMICARBON B.V. (NL) 1985-05-29 EP disclosed
US-4435552-A COORDINATION CATALYST CONTAINING HALOACYL COMPOUND STAMICARBON B.V. (NL) 1984-03-06 US disclosed
EP-0044119-A2 Process for the preparation of copolymers of ethylene with at least one other 1-alkene STAMICARBON B.V. (NL) 1982-01-20 EP disclosed