SCHEMBL11075481

SCHEMBL11075481

CCN(c1ccc(Cl)cc1OC)C1CCC(c2cccc(O)c2)(N(C)C)CC1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 15/20 0.38
OPRL1 P41146 2/20 0.38
SLC6A4 P31645 9/20 0.37
SLC6A2 P23975 7/20 0.37
TSHR P16473 1/20 0.35
OPRD1 P41143 4/20 0.35
OPRK1 P41145 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HTR3A P46098 3/20 0.34

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
SCHEMBL11069869 0.94 OPRM1 (0.36) OPRM1OPRL1SLC6A4SLC6A2TSHR
SCHEMBL11076803 0.92 OPRM1 (0.35) OPRM1OPRL1SLC6A4SLC6A2TSHR
SCHEMBL11071918 0.91 OPRM1 (0.36) OPRM1OPRL1SLC6A4SLC6A2TSHR
SCHEMBL11070717 0.90 OPRM1 (0.38) OPRM1OPRL1SLC6A4SLC6A2TSHR
SCHEMBL11071938 0.89 OPRK1 (0.40) OPRM1OPRL1SLC6A4SLC6A2OPRD1
SCHEMBL11079742 0.89 OPRM1 (0.36) OPRM1OPRL1SLC6A4SLC6A2HTR3A
SCHEMBL11075246 0.87 OPRM1 (0.35) OPRM1OPRL1SLC6A4SLC6A2TSHR
SCHEMBL11075248 0.87 OPRM1 (0.35) OPRM1OPRL1SLC6A4SLC6A2TSHR
SCHEMBL11066779 0.86 TSHR (0.36) OPRM1OPRL1SLC6A4SLC6A2TSHR
SCHEMBL11079248 0.85 SLC6A4 (0.36) SLC6A4SLC6A2TSHRMEN1KMT2A

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