SCHEMBL11079377

SCHEMBL11079377

CCCC1CCN(C2CCC(c3ccc(OC)cc3)(N(C)C)CC2)C1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 15/20 0.45
OPRM1 P35372 11/20 0.45
KDM2B Q8NHM5 4/20 0.39

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
SCHEMBL11072181 0.90 OPRL1 (0.43) OPRL1OPRM1KDM2B
SCHEMBL11069281 0.87 OPRL1 (0.46) OPRL1OPRM1
SCHEMBL11069516 0.86 OPRL1 (0.50) OPRL1OPRM1
SCHEMBL11071725 0.83 OPRL1 (0.37) OPRL1OPRM1KDM2B
SCHEMBL11069606 0.79 OPRL1 (0.40) OPRL1OPRM1
SCHEMBL11071160 0.78 SLC6A3 (0.38) OPRL1OPRM1
SCHEMBL11074165 0.78 OPRL1 (0.44) OPRL1OPRM1
SCHEMBL11078360 0.78 OPRL1 (0.37) OPRL1OPRM1
SCHEMBL11070850 0.77 OPRL1 (0.53) OPRL1OPRM1KDM2B
SCHEMBL11078645 0.76 SLC6A3 (0.36) OPRL1OPRM1

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