SCHEMBL11078669

SCHEMBL11078669

CCN(c1ccc(Cl)cc1OC)C1CCC(c2cccc(OCc3ccccc3)c2)(N(C)C)CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.40
OPRL1 P41146 2/20 0.40
MAOB P27338 1/20 0.38
OPRK1 P41145 3/20 0.37
ADAM17 P78536 2/20 0.37
BCHE P06276 1/20 0.36
SLC6A4 P31645 1/20 0.36
HTR1A P08908 1/20 0.36
DRD1 P21728 1/20 0.36
HTR2A P28223 1/20 0.36
HTR7 P34969 1/20 0.36
HTR6 P50406 1/20 0.36
HTR2C P28335 1/20 0.35
HTR2B P41595 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
SCHEMBL11075481 0.85 OPRM1 (0.38) OPRM1OPRL1OPRK1SLC6A4
SCHEMBL11071938 0.82 OPRK1 (0.40) OPRM1OPRL1OPRK1SLC6A4
SCHEMBL11071524 0.80 OPRM1 (0.42) OPRM1OPRL1SLC6A4
SCHEMBL11066779 0.80 TSHR (0.36) OPRM1OPRL1SLC6A4
SCHEMBL11066917 0.80 HTT (0.36) OPRM1OPRL1SLC6A4
SCHEMBL11079248 0.80 SLC6A4 (0.36) SLC6A4
SCHEMBL11069869 0.79 OPRM1 (0.36) OPRM1OPRL1OPRK1SLC6A4
SCHEMBL11075825 0.79 OPRM1 (0.51) OPRM1OPRL1MAOBADAM17BCHE
SCHEMBL11078728 0.78 TSHR (0.35) OPRM1OPRL1OPRK1SLC6A4
SCHEMBL11076803 0.77 OPRM1 (0.35) OPRM1OPRL1OPRK1SLC6A4

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