SCHEMBL11075424

SCHEMBL11075424

CCCN(CCC)C1(c2ccc(Cl)cc2)CCC(N2CCC(CC)CC2)C(C)C1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.33
OPRM1 P35372 1/20 0.31
OPRL1 P41146 1/20 0.31

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
SCHEMBL11078267 0.94 SLC18A3 (0.32) SLC18A3
SCHEMBL11069872 0.91 SLC18A3 (0.34) SLC18A3OPRM1OPRL1
SCHEMBL11069088 0.91
SCHEMBL11075806 0.89 SLC6A3 (0.33)
SCHEMBL11077826 0.88 OPRM1 (0.36) SLC18A3OPRM1
SCHEMBL11070722 0.85 OPRL1 (0.40) OPRM1OPRL1
SCHEMBL11076978 0.85 SLC18A3 (0.35) SLC18A3OPRM1OPRL1
SCHEMBL11066836 0.83 KCNN4 (0.31)
SCHEMBL11067453 0.83 SLC6A3 (0.32)
SCHEMBL11070165 0.82 OPRM1 (0.34) SLC18A3OPRM1OPRL1

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