SCHEMBL11079655

SCHEMBL11079655

CCCCN(CCCC)C1(c2ccc(Cl)cc2)CCC(=O)CC1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.38
OPRL1 P41146 2/20 0.38
KCNH2 Q12809 8/20 0.37
SLC6A4 P31645 3/20 0.35
SLC6A3 Q01959 3/20 0.35
HSD11B1 P28845 2/20 0.35
SLC6A2 P23975 1/20 0.34
CHRM2 P08172 1/20 0.32
CHRM1 P11229 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
SCHEMBL11075838 0.91 SLC6A4 (0.37) OPRM1OPRL1KCNH2SLC6A4SLC6A3
SCHEMBL11079009 0.85 SLC6A4 (0.38) OPRM1OPRL1KCNH2SLC6A4SLC6A3
SCHEMBL11077717 0.84 OPRM1 (0.36) OPRM1OPRL1KCNH2SLC6A4SLC6A3
SCHEMBL11072305 0.82 HSD11B1 (0.32) KCNH2SLC6A4SLC6A3HSD11B1SLC6A2
SCHEMBL4022665 0.78 OPRM1 (0.44) OPRM1OPRL1KCNH2SLC6A4SLC6A3
SCHEMBL11096384 0.77 DRD3 (0.42) OPRM1OPRL1SLC6A4
Hydrochloric Acid SCHEMBL11098093 0.77 OPRM1 (0.42) OPRM1OPRL1KCNH2SLC6A4SLC6A3
SCHEMBL11073309 0.76 SLC6A4 (0.31) OPRM1OPRL1SLC6A4SLC6A3SLC6A2
SCHEMBL11070525 0.76 SLC6A4 (0.45) OPRM1OPRL1KCNH2SLC6A4SLC6A3
Ethylene SCHEMBL11079292 0.75 OPRM1 (0.41) OPRM1OPRL1KCNH2SLC6A4SLC6A3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4460604-A ANALGESICS, NARCOTIC ANTAGONIST THE UPJOHN COMPANY (US) 1984-07-17 US disclosed
US-4447454-A Analgetic compounds, compositions and process of treatment THE UPJOHN COMPANY (US) 1984-05-08 US disclosed
US-4180584-A ANALGESIC; NARCOTIC ANTAGONIST THE UPJOHN COMPANY (US) 1979-12-25 US disclosed
US-4113866-A ANALGETIC COMPOUNDS, COMPOSITIONS AND PROCESS OF TREATMENT THE UPJOHN COMPANY (US) 1978-09-12 US disclosed
US-4065573-A ANALGESICS THE UPJOHN COMPANY (US) 1977-12-27 US disclosed