SCHEMBL11111813

SCHEMBL11111813

CC(=O)N(C)C1(C(=O)NCC(C)c2c(C)cccc2C)CCNCC1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.33
OPRL1 P41146 1/20 0.31
THRB P10828 1/20 0.31
P2RX7 Q99572 1/20 0.30
HTR2C P28335 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
SCHEMBL11118658 0.87 OPRM1 (0.34) OPRM1
SCHEMBL11118692 0.80 DPP9 (0.36) OPRM1P2RX7HTR2C
SCHEMBL10500358 0.77 LMNA (0.40) OPRM1OPRL1
SCHEMBL11111810 0.73 SCN4A (0.34) OPRM1OPRL1HTR2C
SCHEMBL11119015 0.69 OPRM1 (0.35) OPRM1THRB
SCHEMBL10499523 0.67 KCNH2 (0.43) OPRM1
SCHEMBL11117013 0.65 LMNA (0.45) OPRM1
SCHEMBL10500844 0.64 ATM (0.45)
SCHEMBL11115862 0.64 OPRM1 (0.37) OPRM1
SCHEMBL11114005 0.64 MTNR1A (0.43) OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0121972-A2 N-aryl-alpha-amino-carboxamides JANSSEN PHARMACEUTICA N.V. (BE) 1984-10-17 EP disclosed