SCHEMBL1868503

SCHEMBL1868503

c1ccc2c(c1)CCN2C1CCN(CC2CCCCCCC2)CC1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 6/20 0.60
OPRM1 P35372 5/20 0.60
OPRK1 P41145 4/20 0.60
SIGMAR1 Q99720 7/20 0.50
CHRM3 P20309 1/20 0.50
OPRD1 P41143 1/20 0.49
HTR2C P28335 2/20 0.47
HTR2B P41595 2/20 0.47
DRD2 P14416 3/20 0.46

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
SCHEMBL4934890 0.83 HTR2C (0.58) OPRL1OPRM1OPRK1OPRD1HTR2C
SCHEMBL1961099 0.80 SIGMAR1 (0.61) OPRL1OPRM1OPRK1SIGMAR1DRD2
SCHEMBL14349454 0.80 OPRM1 (0.53) OPRL1OPRM1OPRK1CHRM3OPRD1
SCHEMBL3878013 0.79 OPRM1 (0.80) OPRL1OPRM1OPRK1
SCHEMBL14282272 0.78 OPRM1 (0.52) OPRL1OPRM1OPRK1CHRM3OPRD1
SCHEMBL3723794 0.78 OPRM1 (0.65) OPRL1OPRM1OPRK1SIGMAR1OPRD1
SCHEMBL5871358 0.77 OPRM1 (0.51) OPRL1OPRM1OPRK1OPRD1HTR2C
SCHEMBL29600183 0.76 ALDH1A1 (0.58) OPRL1OPRM1OPRK1SIGMAR1CHRM3
SCHEMBL21307179 0.76 HTR2C (0.60) OPRL1OPRM1OPRK1SIGMAR1CHRM3
SCHEMBL21307175 0.76 HTR2C (0.60) OPRL1OPRM1OPRK1SIGMAR1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7939670-B2 Nociceptin analogs PURDUE PHARMA L.P. (US) 2011-05-10 US disclosed