SCHEMBL11075277

SCHEMBL11075277

CN1CCN(C2CCC(c3cccc(O)c3)(N(C)CCC3CCCCC3)CC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 2/20 0.43
OPRD1 P41143 4/20 0.43
OPRK1 P41145 4/20 0.42
OPRM1 P35372 3/20 0.42
SIGMAR1 Q99720 1/20 0.41
SLC6A4 P31645 2/20 0.40
TACR1 P25103 1/20 0.40
CXCR4 P61073 1/20 0.40
MEN1 O00255 1/20 0.39
SLC6A2 P23975 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL11076003 0.87 OPRD1 (0.47) OPRL1OPRD1OPRM1SLC6A4TACR1
SCHEMBL11075886 0.86 CXCR4 (0.44) OPRL1OPRD1OPRK1OPRM1CXCR4
SCHEMBL11078198 0.85 OPRM1 (0.42) OPRL1OPRD1OPRK1OPRM1SLC6A4
SCHEMBL11076056 0.85 OPRD1 (0.45) OPRL1OPRD1OPRM1
SCHEMBL11066674 0.85 OPRD1 (0.47) OPRL1OPRD1OPRK1OPRM1SLC6A4
SCHEMBL11079767 0.84 OPRD1 (0.49) OPRL1OPRD1OPRK1OPRM1SLC6A4
SCHEMBL11079586 0.84 OPRM1 (0.46) OPRD1OPRM1
SCHEMBL11077290 0.83 OPRD1 (0.55) OPRL1OPRD1OPRK1OPRM1
SCHEMBL11070427 0.81 OPRM1 (0.46) OPRL1OPRD1OPRK1OPRM1SLC6A4
SCHEMBL11078096 0.80 OPRM1 (0.42) OPRD1OPRK1OPRM1SLC6A4MEN1

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