SCHEMBL11069872

SCHEMBL11069872

CCC1CCN(C2CCC(c3ccc(Cl)cc3)(N(CC)CC)CC2C)CC1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.34
OPRL1 P41146 3/20 0.32
OPRM1 P35372 1/20 0.32
KMT2A Q03164 1/20 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
SCHEMBL11075424 0.91 SLC18A3 (0.33) SLC18A3OPRL1OPRM1
SCHEMBL11078267 0.89 SLC18A3 (0.32) SLC18A3
SCHEMBL11070118 0.88 OPRM1 (0.37) SLC18A3OPRL1OPRM1KMT2A
SCHEMBL11067195 0.87 SLC6A3 (0.34)
SCHEMBL11076978 0.87 SLC18A3 (0.35) SLC18A3OPRL1OPRM1
SCHEMBL11074296 0.86 OPRL1 (0.42) OPRL1OPRM1KMT2A
SCHEMBL11066836 0.85 KCNN4 (0.31)
SCHEMBL11069088 0.84
SCHEMBL11075806 0.80 SLC6A3 (0.33)
SCHEMBL11076348 0.80 SLC18A3 (0.35) SLC18A3OPRL1OPRM1KMT2A

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