SCHEMBL11078784

SCHEMBL11078784

CCN(C)C1CCC(c2ccc(Br)cc2)(N(C)C)CC1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
OPRL1 P41146 16/20 0.44
OPRM1 P35372 13/20 0.44
OPRK1 P41145 3/20 0.44
OPRD1 P41143 2/20 0.44

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
SCHEMBL11070143 0.82 OPRL1 (0.56) SLC6A4SLC6A3OPRL1OPRM1
SCHEMBL11076438 0.81 SLC6A4 (0.43) SLC6A4SLC6A3OPRL1OPRM1OPRK1
SCHEMBL11065445 0.79 OPRM1 (0.58) OPRL1OPRM1OPRK1OPRD1
SCHEMBL10476540 0.77 OPRM1 (0.60) OPRL1OPRM1OPRK1OPRD1
SCHEMBL11075649 0.76 SLC6A3 (0.50) SLC6A4SLC6A3OPRL1OPRK1
SCHEMBL11078328 0.76 SLC6A4 (0.47) SLC6A4SLC6A3OPRL1OPRM1OPRK1
Hydrochloric Acid SCHEMBL1141265 0.75 OPRM1 (0.58) OPRL1OPRM1OPRK1OPRD1
SCHEMBL11073738 0.75 SLC6A3 (0.49) SLC6A4SLC6A3OPRL1OPRM1OPRK1
SCHEMBL11076078 0.75 SLC6A4 (0.49) SLC6A4SLC6A3OPRL1OPRM1OPRK1
SCHEMBL11076134 0.74 HTR1D (0.38) OPRL1OPRM1OPRK1OPRD1

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