SCHEMBL11069877

SCHEMBL11069877

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

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 13/20 0.35
SLC6A4 P31645 9/20 0.35
SLC6A2 P23975 7/20 0.35
TSHR P16473 1/20 0.35
HTR3A P46098 3/20 0.34
LPAR1 Q92633 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MEN1 O00255 2/20 0.32
OPRK1 P41145 2/20 0.32
KMT2A Q03164 2/20 0.32
OPRD1 P41143 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL11070716 0.85 OPRM1 (0.34) OPRM1SLC6A4SLC6A2TSHRHTR3A
SCHEMBL11079745 0.84 OPRM1 (0.34) OPRM1SLC6A4HTR3A
SCHEMBL11075481 0.84 OPRM1 (0.38) OPRM1SLC6A4SLC6A2TSHRHTR3A
SCHEMBL11069869 0.83 OPRM1 (0.36) OPRM1SLC6A4SLC6A2TSHRHTR3A
SCHEMBL11075246 0.81 OPRM1 (0.35) OPRM1SLC6A4SLC6A2TSHRHTR3A
SCHEMBL11076803 0.80 OPRM1 (0.35) OPRM1SLC6A4SLC6A2TSHRHTR3A
SCHEMBL11071918 0.80 OPRM1 (0.36) OPRM1SLC6A4SLC6A2TSHRHTR3A
SCHEMBL11070717 0.79 OPRM1 (0.38) OPRM1SLC6A4SLC6A2TSHRHTR3A
SCHEMBL11079742 0.78 OPRM1 (0.36) OPRM1SLC6A4SLC6A2HTR3A
SCHEMBL11071938 0.78 OPRK1 (0.40) OPRM1SLC6A4SLC6A2OPRK1OPRD1

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