SCHEMBL24045795

SCHEMBL24045795

COc1ccc(-c2ccc(N3CCC=CC3=O)cc2)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 1/20 0.40
CYP2A6 P11509 1/20 0.40
NPC1 O15118 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KCNH2 Q12809 3/20 0.39
CD274 Q9NZQ7 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
RIOK2 Q9BVS4 3/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
PIK3CA P42336 2/20 0.38
NAAA Q02083 1/20 0.37
MCHR1 Q99705 1/20 0.37
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
KDM1A O60341 1/20 0.36

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
SCHEMBL24045740 0.88 GPR119 (0.40) NPC1SMN1; SMN2GPR119RIOK2PIK3CA
SCHEMBL24045773 0.82 CHRNA7 (0.41)
SCHEMBL24045788 0.79 BRD9 (0.42)
SCHEMBL24045873 0.78 BACE1 (0.43)
SCHEMBL1360514 0.76 MGLL (0.51) NPC1SMN1; SMN2
SCHEMBL24045762 0.75 EGLN1 (0.38) CYP2A6CD274GPR119
SCHEMBL24045705 0.75 BCHE (0.38) HTTSMN1; SMN2PIK3CA
SCHEMBL24045932 0.75 APP (0.47) MKNK1MKNK2CYP2A6
SCHEMBL24045718 0.74 BRD4 (0.46)
SCHEMBL24045911 0.74 NAAA (0.40) NPC1SMN1; SMN2NAAAKDM1AMAOA

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-3414227-B1 PIPERIDINONE FORMYL PEPTIDE 2 RECEPTOR AND FORMYL PEPTIDE 1 RECEPTOR AGONISTS BRISTOL MYERS SQUIBB CO (US) 2021-11-24 EP disclosed