SCHEMBL5499787

SCHEMBL5499787

NC(=O)Cc1ccccc1-c1ccc2c(c1)Oc1ccccc1N2C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.41
OPRK1 P41145 1/20 0.41
OPRL1 P41146 1/20 0.41
SIGMAR1 Q99720 7/20 0.41
TSHR P16473 1/20 0.40
MCHR1 Q99705 1/20 0.39
SLC6A12 P48065 1/20 0.39
SLC6A13 Q9NSD5 1/20 0.39
ICMT O60725 1/20 0.39
ACHE P22303 2/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL5122808 0.81 MEN1 (0.45) OPRM1OPRK1OPRL1SIGMAR1SLC6A12
SCHEMBL5115820 0.80 SLC6A12 (0.52) OPRM1OPRK1OPRL1SIGMAR1TSHR
SCHEMBL5116631 0.78 DRD4 (0.47) OPRM1OPRK1OPRL1SIGMAR1TSHR
SCHEMBL5112352 0.77 OPRM1 (0.49) OPRM1OPRK1OPRL1SIGMAR1TSHR
SCHEMBL14015228 0.76 OPRM1 (0.48) OPRM1OPRK1OPRL1TSHRACHE
SCHEMBL14015227 0.76 DRD2 (0.51) OPRM1OPRK1OPRL1SIGMAR1TSHR
SCHEMBL5121438 0.76 DRD4 (0.47) OPRM1OPRK1OPRL1SIGMAR1ACHE
SCHEMBL5119452 0.76 CHRM4 (0.48) OPRM1OPRK1OPRL1MCHR1SLC6A12
SCHEMBL5112789 0.74 OPRD1 (0.51) OPRM1OPRK1
SCHEMBL5505695 0.74 CHRM1 (0.39) ICMT

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-1846400-A2 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-24 EP disclosed
WO-2006074388-A2 TRICYCLIC δ-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-07-13 WO disclosed