SCHEMBL11076348

SCHEMBL11076348

CCC1CCN(C2CCC(c3ccc(Cl)cc3)(N(C)C)CC2CC)CC1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.35
OPRL1 P41146 6/20 0.34
OPRM1 P35372 3/20 0.33
SLC6A3 Q01959 3/20 0.32
SLC6A4 P31645 2/20 0.32
SIGMAR1 Q99720 1/20 0.32
SLC6A2 P23975 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 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
SCHEMBL11073871 0.92 SLC6A3 (0.38) SLC18A3OPRL1OPRM1SLC6A3SLC6A4
SCHEMBL11074614 0.90 SLC6A3 (0.32) SLC18A3OPRL1OPRM1SLC6A3
SCHEMBL11078213 0.88 OPRM1 (0.40) SLC18A3OPRL1OPRM1SLC6A3SLC6A4
SCHEMBL11073955 0.88 SLC6A3 (0.37) SLC18A3OPRL1OPRM1SLC6A3ALDH1A1
SCHEMBL11081982 0.82 SLC6A3 (0.40) SLC18A3OPRL1OPRM1SLC6A3SLC6A4
SCHEMBL11076978 0.80 SLC18A3 (0.35) SLC18A3OPRL1OPRM1SLC6A3SLC6A4
SCHEMBL11071504 0.80 SLC6A3 (0.35) OPRL1OPRM1SLC6A3
SCHEMBL11069250 0.80 SLC6A3 (0.41) SLC18A3OPRL1OPRM1SLC6A3SLC6A4
SCHEMBL11069872 0.80 SLC18A3 (0.34) SLC18A3OPRL1OPRM1KMT2A
SCHEMBL11076488 0.78 OPRM1 (0.38) SLC18A3OPRL1OPRM1SLC6A3SLC6A4

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