SCHEMBL11118656

SCHEMBL11118656

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

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.37
OPRD1 P41143 7/20 0.35
OPRK1 P41145 3/20 0.35
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
GABRD O14764 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRB2 P47870 1/20 0.31
GABRA4 P48169 1/20 0.31
HTR2C P28335 1/20 0.31
KCNH2 Q12809 3/20 0.31
SCN4A P35499 1/20 0.30
ABCB11 O95342 1/20 0.30
CYP2D6 P10635 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
SCHEMBL11111810 0.84 SCN4A (0.34) OPRM1OPRD1OPRK1MEN1KMT2A
SCHEMBL11114555 0.80 OPRM1 (0.40) OPRM1OPRD1OPRK1MEN1KMT2A
SCHEMBL11118690 0.76 DPP9 (0.40) OPRM1OPRD1OPRK1MEN1KMT2A
SCHEMBL11118947 0.76 OPRM1 (0.37) OPRM1OPRD1OPRK1MEN1KMT2A
SCHEMBL11118658 0.76 OPRM1 (0.34) OPRM1OPRD1OPRK1
SCHEMBL11114336 0.74 KMT2A (0.42) OPRM1OPRD1OPRK1MEN1KMT2A
SCHEMBL26752802 0.65 ALDH1A1 (0.53) MEN1KMT2AKCNH2SCN4A
SCHEMBL11115240 0.64 LMNA (0.46) OPRM1OPRD1OPRK1MEN1KMT2A
SCHEMBL11119013 0.64 MEN1 (0.38) OPRM1OPRD1OPRK1MEN1KMT2A
SCHEMBL10500008 0.64 ATM (0.43) MEN1KMT2AKCNH2SCN4A

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