SCHEMBL3403017

SCHEMBL3403017

O=C(O)N1CCC(n2c(=O)[nH]c3ccccc32)C[C@@H]1CCCN(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.50
OPRK1 P41145 4/20 0.50
OPRL1 P41146 3/20 0.50
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
PMP22 Q01453 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 1/20 0.44
MLNR O43193 1/20 0.44
LMNA P02545 1/20 0.44
PGR P06401 1/20 0.44
ADRB2 P07550 1/20 0.44
CHRM2 P08172 1/20 0.44
ADRB1 P08588 1/20 0.44
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
CHRM1 P11229 1/20 0.44

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
SCHEMBL1835272 1.00 OPRM1 (0.50) OPRM1OPRK1OPRL1ALDH1A1KDM4E
SCHEMBL1838176 0.95 OPRK1 (0.50) OPRM1OPRK1OPRL1ALDH1A1KDM4E
SCHEMBL1834994 0.95 OPRM1 (0.52) OPRM1OPRK1OPRL1ALDH1A1KDM4E
SCHEMBL3399651 0.95 OPRM1 (0.52) OPRM1OPRK1OPRL1ALDH1A1KDM4E
SCHEMBL1836260 0.95 OPRK1 (0.50) OPRM1OPRK1OPRL1ALDH1A1KDM4E
SCHEMBL1831703 0.95 OPRM1 (0.47) OPRM1OPRK1OPRL1ALDH1A1KDM4E
SCHEMBL3400375 0.95 OPRM1 (0.47) OPRM1OPRK1OPRL1ALDH1A1KDM4E
SCHEMBL3400121 0.95 OPRK1 (0.46) OPRM1OPRK1OPRL1ALDH1A1KDM4E
SCHEMBL1833681 0.94 OPRM1 (0.52) OPRM1OPRK1OPRL1ALDH1A1KDM4E
SCHEMBL3806539 0.93 OPRM1 (0.50) OPRM1OPRK1OPRL1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2160098-B1 USE OF COMPOUNDS HAVING A MONOGALACTOSYLDIACYLGLYCEROL SYNTHASE INHIBITORY ACTIVITY AS HERBICIDE OR ALGAECIDE, HERBICIDE AND ALGAECIDE COMPOSITIONS COMMISSARIAT ENERGIE ATOMIQUE (FR) 2010-11-10 EP claimed
EP-2155676-A2 COMPOUNDS WITH ANTIPARASITIC ACTIVITY, APPLICATIONS THEREOF TO THE TREATMENT OF INFECTIOUS DISEASES CAUSED BY APICOMPLEXANS Commissariat à l'Energie Atomique (FR) 2010-02-24 EP disclosed
WO-2008146172-A2 COMPOUNDS WITH ANTIPARASITIC ACTIVITY, APPLICATIONS THEREOF TO THE TREATMENT OF INFECTIOUS DISEASES CAUSED BY APICOMPLEXANS COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2008-12-04 WO disclosed
EP-1997805-A1 Compounds with antiparasitic activity, applications thereof to the treatment of infectious diseases caused by apicomplexans Commissariat à l'Energie Atomique (FR) 2008-12-03 EP disclosed