SCHEMBL24045773

SCHEMBL24045773

COc1cc(-c2ccc(N3CCC=CC3=O)cc2)ccn1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.41
GRM2 Q14416 3/20 0.40
SLC13A5 Q86YT5 1/20 0.37
FAAH O00519 1/20 0.37
GRM5 P41594 5/20 0.37
GRM1 Q13255 3/20 0.37
BACE1 P56817 1/20 0.37
DYRK1A Q13627 1/20 0.36
CYP17A1 P05093 1/20 0.36
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
FEN1 P39748 1/20 0.35
MTOR P42345 1/20 0.35
ROCK2 O75116 1/20 0.35
IDO1 P14902 1/20 0.34

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
SCHEMBL24045795 0.82 MKNK1 (0.44)
SCHEMBL24045705 0.79 BCHE (0.38) FAAHPDE3BPDE3AMTOR
SCHEMBL24045718 0.78 BRD4 (0.46) GRM2BACE1ROCK2
SCHEMBL24045873 0.76 BACE1 (0.43) GRM5GRM1BACE1ROCK2
SCHEMBL24045911 0.75 NAAA (0.40) FEN1
SCHEMBL24045788 0.75 BRD9 (0.42) ROCK2
SCHEMBL1360514 0.74 MGLL (0.51)
SCHEMBL24045740 0.73 GPR119 (0.40) GRM5ROCK2
SCHEMBL24045906 0.72 ROCK2 (0.38) ROCK2
SCHEMBL24045762 0.71 EGLN1 (0.38) GRM2FAAHBACE1ROCK2

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