SCHEMBL11069968

SCHEMBL11069968

CCCN(C)C1(c2cccc(O)c2)CCC(N2CCC(CC)CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 5/20 0.41
OPRK1 P41145 3/20 0.39
OPRM1 P35372 3/20 0.39
OPRD1 P41143 3/20 0.39
HTR7 P34969 1/20 0.39
DRD2 P14416 2/20 0.38
HTR1A P08908 1/20 0.38
DRD1 P21728 1/20 0.38
DRD4 P21917 1/20 0.38
DRD5 P21918 1/20 0.38
DRD3 P35462 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
SCHEMBL11075471 0.94 OPRM1 (0.44) OPRL1OPRM1DRD2HTR1ADRD1
SCHEMBL11079138 0.93 DRD3 (0.43) OPRL1OPRM1DRD2HTR1ADRD1
SCHEMBL11076919 0.91 OPRL1 (0.43) OPRL1OPRK1OPRM1OPRD1
SCHEMBL11081934 0.90 OPRL1 (0.51) OPRL1OPRK1OPRM1OPRD1
SCHEMBL11073740 0.89 OPRL1 (0.41) OPRL1OPRK1OPRM1OPRD1
SCHEMBL11073542 0.89 OPRM1 (0.42) OPRL1OPRK1OPRM1
SCHEMBL11076003 0.88 OPRD1 (0.47) OPRL1OPRM1OPRD1
SCHEMBL11076240 0.87 OPRM1 (0.44) OPRL1OPRK1OPRM1OPRD1HTR7
SCHEMBL11076093 0.84 OPRL1 (0.50) OPRL1OPRK1OPRM1OPRD1
SCHEMBL11073866 0.83 OPRM1 (0.41) OPRL1OPRK1OPRM1OPRD1DRD2

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
US-4447454-A Analgetic compounds, compositions and process of treatment THE UPJOHN COMPANY (US) 1984-05-08 US disclosed
US-4113866-A ANALGETIC COMPOUNDS, COMPOSITIONS AND PROCESS OF TREATMENT THE UPJOHN COMPANY (US) 1978-09-12 US disclosed