SCHEMBL11111810

SCHEMBL11111810

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 1/20 0.34
OPRM1 P35372 4/20 0.34
OPRL1 P41146 1/20 0.34
GABRD O14764 2/20 0.33
GABRA1 P14867 2/20 0.33
GABRB1 P18505 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRA3 P34903 2/20 0.33
GABRA2 P47869 2/20 0.33
GABRB2 P47870 2/20 0.33
GABRA4 P48169 2/20 0.33
HTR2C P28335 2/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
PLA2G1B P04054 1/20 0.30
HTT P42858 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
ATG4B Q9Y4P1 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 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
SCHEMBL11118656 0.84 OPRM1 (0.37) SCN4AOPRM1GABRDGABRA1GABRB1
SCHEMBL11118690 0.79 DPP9 (0.40) SCN4AOPRM1GABRDGABRA1GABRB1
SCHEMBL11114336 0.77 KMT2A (0.42) SCN4AOPRM1GABRDGABRA1GABRB1
SCHEMBL11114555 0.76 OPRM1 (0.40) OPRM1MEN1KMT2AOPRD1OPRK1
SCHEMBL10500358 0.74 LMNA (0.40) SCN4AOPRM1OPRL1MEN1KMT2A
SCHEMBL11118947 0.74 OPRM1 (0.37) SCN4AOPRM1GABRDGABRA1GABRB1
SCHEMBL11111813 0.73 OPRM1 (0.33) OPRM1OPRL1HTR2C
SCHEMBL11114801 0.68 SCN4A (0.35) SCN4AOPRM1GABRDGABRA1GABRB1
SCHEMBL11117599 0.68 LMNA (0.43) SCN4AOPRM1HTR2C
SCHEMBL11119013 0.67 MEN1 (0.38) SCN4AOPRM1GABRDGABRA1GABRB1

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