SCHEMBL24045906

SCHEMBL24045906

COc1cc(F)c(-c2ccc(N3CCC=CC3=O)cc2)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 9/20 0.38
PTGS1 P23219 2/20 0.35
PTGS2 P35354 2/20 0.35
PKM P14618 4/20 0.34
MGLL Q99685 1/20 0.34
CPS1 P31327 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL24045882 0.85 ROCK2 (0.39) ROCK2PKMCPS1
SCHEMBL1360514 0.81 MGLL (0.51) PKMMGLLNPC1RAB9APOLB
SCHEMBL24045718 0.79 BRD4 (0.46) ROCK2MGLL
SCHEMBL24045770 0.76 UGCG (0.47) ROCK2NPC1RAB9A
SCHEMBL24045708 0.73 UGCG (0.41) NPC1RAB9A
SCHEMBL24045702 0.72 DGAT1 (0.44)
SCHEMBL24045754 0.72 UGCG (0.46) PKMNPC1RAB9A
SCHEMBL24045773 0.72 CHRNA7 (0.41) ROCK2
SCHEMBL14266793 0.72 MAPT (0.37) NPC1RAB9APOLB
SCHEMBL24045892 0.71 TAAR1 (0.45) ROCK2PTGS2MGLL

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