SCHEMBL11073165

SCHEMBL11073165

CCCC1CCN(C2CCC(c3ccc(CC)cc3CC)(N(C)C)CC2)C1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 8/20 0.34
OPRM1 P35372 3/20 0.33
OPRK1 P41145 2/20 0.33
CCR2 P41597 1/20 0.31
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HRH1 P35367 1/20 0.30
HTR2B P41595 1/20 0.30
SLC6A4 P31645 2/20 0.30

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
SCHEMBL11071372 0.87 OPRL1 (0.39) OPRL1OPRM1OPRK1HTR2AHTR2C
SCHEMBL11075482 0.81 OPRL1 (0.40) OPRL1OPRM1OPRK1HTR2AHTR2C
SCHEMBL11069269 0.81 SKP2 (0.34) OPRL1OPRM1OPRK1
SCHEMBL11078319 0.78 OPRL1 (0.41) OPRL1OPRM1OPRK1HTR2AHTR2C
SCHEMBL11069281 0.75 OPRL1 (0.46) OPRL1OPRM1OPRK1CCR2
SCHEMBL11069606 0.74 OPRL1 (0.40) OPRL1OPRM1OPRK1SLC6A4
SCHEMBL11074165 0.73 OPRL1 (0.44) OPRL1OPRM1OPRK1
SCHEMBL11079377 0.73 OPRL1 (0.45) OPRL1OPRM1
SCHEMBL11071936 0.72 SLC6A4 (0.39) OPRL1OPRM1HTR2AHTR2CSLC6A4
SCHEMBL11072181 0.72 OPRL1 (0.43) OPRL1OPRM1OPRK1

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