SCHEMBL23009786

SCHEMBL23009786

CN(C)C(=O)C1CC(=O)N1C(=O)N1CCCCC1c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F11 P03951 3/20 0.53
RIPK1 Q13546 3/20 0.47
PRMT5 O14744 4/20 0.44
WDR77 Q9BQA1 4/20 0.44
OPRL1 P41146 3/20 0.44
OPRM1 P35372 3/20 0.44
HSD11B1 P28845 1/20 0.43
AGTR2 P50052 1/20 0.42
EPHX2 P34913 2/20 0.41
ITGB1 P05556 1/20 0.41
ITGA5 P08648 1/20 0.41

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
SCHEMBL23009636 0.89 RIPK1 (0.49) F11RIPK1PRMT5WDR77HSD11B1
SCHEMBL23009601 0.84 F11 (0.53) F11RIPK1PRMT5WDR77HSD11B1
SCHEMBL4019469 0.78 RIPK1 (0.62) RIPK1PRMT5WDR77HSD11B1AGTR2
SCHEMBL24234038 0.73 RIPK1 (0.60) RIPK1PRMT5WDR77HSD11B1EPHX2
SCHEMBL9336982 0.72 RIPK1 (0.63) RIPK1PRMT5WDR77HSD11B1EPHX2
SCHEMBL19917196 0.72 HSD11B1 (0.59) RIPK1PRMT5WDR77HSD11B1EPHX2
SCHEMBL24365000 0.72 RIPK1 (0.63) RIPK1PRMT5WDR77HSD11B1EPHX2
SCHEMBL216202 0.72 RIPK1 (0.62) RIPK1PRMT5WDR77HSD11B1EPHX2
SCHEMBL27574934 0.72 RIPK1 (0.62) RIPK1PRMT5WDR77HSD11B1EPHX2
SCHEMBL27574946 0.72 RIPK1 (0.62) RIPK1PRMT5WDR77HSD11B1EPHX2

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-3778588-A1 QUATERNARY LACTAM COMPOUND AND PHARMACEUTICAL USE THEREOF Shanghai Meiyue Biotech Development Co., Ltd. (CN) 2021-02-17 EP disclosed