SCHEMBL24045876

SCHEMBL24045876

CSc1cccc(-c2ccc(N3CCC=CC3=O)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.40
ALOX5 P09917 1/20 0.37
CTSD P07339 1/20 0.36
TGFBR1 P36897 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HTT P42858 2/20 0.33
FAAH O00519 2/20 0.33
MGLL Q99685 2/20 0.33
HSP90AA1 P07900 1/20 0.33
PKM P14618 1/20 0.33
ATM Q13315 1/20 0.33
MAPT P10636 2/20 0.33
PTGS2 P35354 1/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
RAB9A P51151 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
SCHEMBL24045868 0.86 PTGS2 (0.44) BACE1ALDH1A1HTTFAAHMGLL
SCHEMBL24045957 0.86 AOC3 (0.32) BACE1ALDH1A1HTTFAAHMGLL
SCHEMBL24045954 0.81 POLB (0.33) ALDH1A1HTTFAAHMGLLHSP90AA1
SCHEMBL24045892 0.80 TAAR1 (0.45) FAAHMGLLPTGS2USP2
SCHEMBL24045718 0.80 BRD4 (0.46) BACE1TGFBR1MGLLGAA
SCHEMBL24045797 0.79 PRMT6 (0.34) BACE1F10
SCHEMBL24045704 0.77 KDM1A (0.42)
SCHEMBL24045719 0.75 RAB9A (0.36) ALDH1A1HTTFAAHMGLLPKM
SCHEMBL24045796 0.75 F10 (0.47) BACE1ALDH1A1PKMLMNAGAA
SCHEMBL24045705 0.72 BCHE (0.38) ALDH1A1HTTFAAHMGLLMAPT

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