SCHEMBL11075013

SCHEMBL11075013

CCCCC1CC(c2ccc(Cl)cc2)(N(C)C)CCC1N(C)CCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 13/20 0.42
OPRL1 P41146 12/20 0.42
SLC18A3 Q16572 2/20 0.39
OPRK1 P41145 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
CCR3 P51677 1/20 0.35

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
SCHEMBL11078601 0.94 OPRM1 (0.41) OPRM1OPRL1SLC18A3OPRK1SIGMAR1
SCHEMBL11077325 0.90 OPRM1 (0.42) OPRM1OPRL1SLC18A3OPRK1SIGMAR1
SCHEMBL11079788 0.85 OPRL1 (0.34) OPRM1OPRL1OPRK1
SCHEMBL11073256 0.81 OPRM1 (0.39) OPRM1OPRL1SLC18A3OPRK1SIGMAR1
SCHEMBL11073887 0.79 SLC18A3 (0.40) OPRM1OPRL1SLC18A3OPRK1SIGMAR1
SCHEMBL11065762 0.78 SLC6A3 (0.34) OPRM1OPRL1OPRK1
SCHEMBL11069131 0.78 SLC18A3 (0.40) OPRM1OPRL1SLC18A3OPRK1SIGMAR1
SCHEMBL11070591 0.77 OPRM1 (0.41) OPRM1OPRL1SLC18A3
SCHEMBL11075316 0.76 OPRM1 (0.31) OPRM1OPRL1
SCHEMBL11070322 0.76 SLC18A3 (0.40) OPRM1OPRL1SLC18A3OPRK1SIGMAR1

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