SCHEMBL11076003

SCHEMBL11076003

CCCN(C)C1(c2cccc(O)c2)CCC(N2CCN(C)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.47
OPRL1 P41146 3/20 0.42
SLC6A4 P31645 2/20 0.41
TACR1 P25103 1/20 0.41
OPRM1 P35372 2/20 0.41
SLC22A1 O15245 1/20 0.41
CHRM2 P08172 1/20 0.41
ACHE P22303 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL11076056 0.94 OPRD1 (0.45) OPRD1OPRL1OPRM1
SCHEMBL11079586 0.93 OPRM1 (0.46) OPRD1OPRM1
SCHEMBL11079767 0.91 OPRD1 (0.49) OPRD1OPRL1SLC6A4TACR1OPRM1
SCHEMBL11069968 0.88 OPRL1 (0.41) OPRD1OPRL1OPRM1
SCHEMBL11077290 0.87 OPRD1 (0.55) OPRD1OPRL1OPRM1
SCHEMBL11066674 0.87 OPRD1 (0.47) OPRD1OPRL1SLC6A4OPRM1SLC22A1
SCHEMBL11075277 0.87 OPRL1 (0.43) OPRD1OPRL1SLC6A4TACR1OPRM1
SCHEMBL11070427 0.85 OPRM1 (0.46) OPRD1OPRL1SLC6A4TACR1OPRM1
SCHEMBL11076093 0.85 OPRL1 (0.50) OPRD1OPRL1SLC6A4OPRM1ACHE
SCHEMBL11073542 0.83 OPRM1 (0.42) OPRL1OPRM1

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