SCHEMBL11073199

SCHEMBL11073199

CCCN(c1cc(C)cc(C)c1)C1CCC(c2ccc(OC)cc2)(N(C)C)CC1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 11/20 0.45
OPRL1 P41146 11/20 0.45
DRD2 P14416 4/20 0.36
DRD3 P35462 4/20 0.36
DRD4 P21917 2/20 0.36
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
CRHR1 P34998 1/20 0.35
TSPO P30536 1/20 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
SCHEMBL11072243 0.90 OPRL1 (0.33) OPRM1OPRL1CRHR1
SCHEMBL11077431 0.86 OPRM1 (0.36) OPRM1OPRL1
SCHEMBL11076219 0.84 L3MBTL1 (0.36) SLC6A4SLC6A3CRHR1
SCHEMBL11073495 0.80 PGR (0.33)
SCHEMBL11074662 0.79 SLC6A4 (0.32) DRD2DRD3SLC6A4SLC6A3
SCHEMBL11077880 0.79 OPRM1 (0.39) OPRM1OPRL1SLC6A4
SCHEMBL11078604 0.77 SLC6A4 (0.32) DRD2DRD3SLC6A4SLC6A3
SCHEMBL11075816 0.77 HTR2A (0.31) OPRM1OPRL1
SCHEMBL11069896 0.77 OPRM1 (0.43) OPRM1OPRL1TSPO
SCHEMBL11079381 0.76 PGR (0.31) OPRM1OPRL1DRD2DRD3

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 1 patent. 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