SCHEMBL11077142

SCHEMBL11077142

C=CCC(CC)NC1CCC(c2cccc(O)c2)(N(C)C)CC1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 14/20 0.38
OPRL1 P41146 6/20 0.38
SLC6A4 P31645 7/20 0.37
SLC6A2 P23975 5/20 0.37
OPRD1 P41143 3/20 0.37
OPRK1 P41145 3/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL11073690 0.89 OPRM1 (0.40) OPRM1OPRL1SLC6A4SLC6A2OPRD1
SCHEMBL11070312 0.79 OPRM1 (0.44) OPRM1OPRL1SLC6A4SLC6A2OPRD1
SCHEMBL11075979 0.74 OPRM1 (0.43) OPRM1SLC6A4SLC6A2OPRD1OPRK1
SCHEMBL11076282 0.73 OPRM1 (0.41) OPRM1OPRL1SLC6A4SLC6A2OPRD1
Ethylbenzene SCHEMBL11073164 0.71 OPRM1 (0.52) OPRM1OPRL1SLC6A4SLC6A2OPRD1
SCHEMBL11070074 0.70 OPRM1 (0.45) OPRM1OPRL1SLC6A4SLC6A2OPRD1
SCHEMBL11069915 0.70 OPRM1 (0.44) OPRM1SLC6A4SLC6A2OPRD1OPRK1
SCHEMBL11081453 0.70 OPRM1 (0.43) OPRM1OPRL1SLC6A4SLC6A2OPRD1
SCHEMBL11070088 0.69 OPRM1 (0.48) OPRM1OPRL1SLC6A4SLC6A2OPRD1
SCHEMBL11078093 0.68 OPRM1 (0.41) OPRM1SLC6A4SLC6A2OPRD1OPRK1

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