SCHEMBL3670016

SCHEMBL3670016

COc1cccc(CN(CCC[C@H]2CC(n3c(=O)[nH]c4ccccc43)CCN2C(=O)O)Cc2ccccc2)c1.O=C(O)N1CCC(n2c(=O)[nH]c3ccccc32)C[C@@H]1CCCN(Cc1ccccc1)Cc1cccc(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 10/20 0.52
HSD11B1 P28845 3/20 0.49
OPRK1 P41145 3/20 0.45
OPRD1 P41143 1/20 0.45
DRD2 P14416 3/20 0.44
DRD3 P35462 2/20 0.44
DRD4 P21917 2/20 0.44
CHRM1 P11229 1/20 0.43
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
USP2 O75604 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
TSHR P16473 1/20 0.41
OPRL1 P41146 2/20 0.41
MEN1 O00255 1/20 0.40
SLC22A2 O15244 1/20 0.40
NR1I2 O75469 1/20 0.40
GMNN O75496 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL1835021 0.96 OPRM1 (0.56) OPRM1HSD11B1OPRK1OPRD1DRD2
SCHEMBL1840395 0.96 OPRM1 (0.56) OPRM1HSD11B1OPRK1OPRD1DRD2
SCHEMBL1835803 0.94 OPRM1 (0.54) OPRM1OPRK1DRD2DRD3CHRM1
SCHEMBL1832664 0.94 OPRM1 (0.54) OPRM1OPRK1DRD2DRD3CHRM1
SCHEMBL1835710 0.91 OPRM1 (0.58) OPRM1HSD11B1OPRK1OPRD1DRD2
SCHEMBL1838747 0.91 OPRM1 (0.52) OPRM1HSD11B1OPRK1DRD2DRD3
SCHEMBL3400380 0.90 OPRM1 (0.54) OPRM1HSD11B1OPRK1OPRD1DRD2
SCHEMBL1836451 0.90 OPRM1 (0.47) OPRM1HSD11B1OPRK1DRD2DRD3
SCHEMBL1838785 0.90 OPRM1 (0.54) OPRM1HSD11B1OPRK1OPRD1DRD2
SCHEMBL1833775 0.90 OPRM1 (0.47) OPRM1HSD11B1OPRK1DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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