SCHEMBL21555034

SCHEMBL21555034

COc1cccc(C(=O)NC(C(=O)NC(Cc2ccccc2)C(=O)C(=O)NC2CC2)C2CC2)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 2/20 0.54
CAPN1 P07384 5/20 0.53
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPK1 P28482 1/20 0.50
KMT2A Q03164 1/20 0.50
GPR132 Q9UNW8 1/20 0.45
CTSL P07711 4/20 0.45
LMNA P02545 1/20 0.44
CTSS P25774 2/20 0.44
CTSK P43235 2/20 0.44
CCR3 P51677 1/20 0.43
CTSD P07339 1/20 0.43
BACE1 P56817 1/20 0.43
BACE2 Q9Y5Z0 1/20 0.43
MCHR1 Q99705 1/20 0.43

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
SCHEMBL23921539 0.88 GPR139 (0.56) GPR139CAPN1MEN1ALDH1A1MAPK1
SCHEMBL21526187 0.88 GPR139 (0.56) GPR139CAPN1MEN1ALDH1A1MAPK1
SCHEMBL21555036 0.88 GPR139 (0.56) GPR139CAPN1MEN1ALDH1A1MAPK1
SCHEMBL21554794 0.88 GPR139 (0.56) GPR139CAPN1MEN1ALDH1A1MAPK1
SCHEMBL21526219 0.87 GPR139 (0.58) GPR139CAPN1MEN1ALDH1A1MAPK1
SCHEMBL21554807 0.87 CAPN1 (0.68) GPR139CAPN1MEN1ALDH1A1MAPK1
SCHEMBL21526220 0.87 GPR139 (0.58) GPR139CAPN1MEN1ALDH1A1MAPK1
SCHEMBL21526228 0.87 CAPN1 (0.68) GPR139CAPN1MEN1ALDH1A1MAPK1
SCHEMBL21526229 0.87 CAPN1 (0.68) GPR139CAPN1MEN1ALDH1A1MAPK1
SCHEMBL21554817 0.87 GPR139 (0.58) GPR139CAPN1MEN1ALDH1A1MAPK1

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-3564211-A1 DIPEPTIDYL KETOAMIDE META-METHOXYPHENYL DERIVATIVES AND USES THEREOF LANDSTEINER GENMED, S.L. (ES) 2019-11-06 EP disclosed