SCHEMBL24045873

SCHEMBL24045873

COc1cccc(-c2ccc(N3CCC=CC3=O)cc2)n1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.43
ROCK2 O75116 3/20 0.41
BTK Q06187 1/20 0.39
GRM5 P41594 1/20 0.36
GRM1 Q13255 1/20 0.36
ALOX5 P09917 2/20 0.36
CNR1 P21554 1/20 0.34
TGFBR1 P36897 1/20 0.34
METAP2 P50579 1/20 0.34
AVPR1B P47901 1/20 0.33
NR4A2 P43354 1/20 0.33
DHODH Q02127 1/20 0.33
ALOX5AP P20292 1/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
KDR P35968 1/20 0.32

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
SCHEMBL24045802 0.81 MAPT (0.34) ROCK2ALOX5
SCHEMBL24045788 0.80 BRD9 (0.42) ROCK2ALOX5AP
SCHEMBL24045795 0.78 MKNK1 (0.44)
SCHEMBL24045773 0.76 CHRNA7 (0.41) BACE1ROCK2GRM5GRM1
SCHEMBL24045718 0.75 BRD4 (0.46) BACE1ROCK2TGFBR1DHODH
SCHEMBL1360514 0.74 MGLL (0.51)
SCHEMBL24045754 0.73 UGCG (0.46)
SCHEMBL24045911 0.72 NAAA (0.40) BTKMETAP2DHODHALOX5AP
SCHEMBL24045708 0.72 UGCG (0.41) BACE1METAP2DHODH
SCHEMBL24045705 0.70 BCHE (0.38)

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