SCHEMBL18955154

SCHEMBL18955154

Cc1ncccc1-c1ccc(N2CCCCC2=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIP4K2A P48426 1/20 0.51
PIP4K2C Q8TBX8 1/20 0.51
F10 P00742 3/20 0.47
PRSS1 P07477 2/20 0.47
PRSS2 P07478 2/20 0.47
PRSS3 P35030 2/20 0.47
MKNK1 Q9BUB5 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TSHR P16473 2/20 0.44
AKR1C3 P42330 2/20 0.43
GAA P10253 1/20 0.43
ALOX5AP P20292 1/20 0.43
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL20582035 0.84 NAAA (0.43) PIP4K2APIP4K2CF10PRSS1PRSS2
SCHEMBL24045765 0.78 FPR2 (0.48) F10PRSS1PRSS2PRSS3AKR1C3
SCHEMBL18955219 0.76 FPR1 (0.46) F10PRSS1PRSS2PRSS3AKR1C3
SCHEMBL22553839 0.75 NPC1 (0.48) PIP4K2APIP4K2CF10PRSS1PRSS2
SCHEMBL22554094 0.75 PIP4K2A (0.43) PIP4K2APIP4K2CF10PRSS1PRSS2
SCHEMBL30730861 0.75 PIP4K2A (0.43) PIP4K2APIP4K2CF10PRSS1PRSS2
SCHEMBL24045800 0.74 CYP11B1 (0.55) MKNK1MKNK2GAAALDH1A1
SCHEMBL22575149 0.74 PRKAB2 (0.47) F10PRSS1PRSS2PRSS3MEN1
SCHEMBL24045801 0.73 MEN1 (0.53) MEN1KMT2ALMNAHPGD
SCHEMBL609322 0.73 ALDH1A1 (0.56) MEN1KMT2AAKR1C3LMNAHPGD

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 3 patents. 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
EP-3414227-A1 PIPERIDINONE FORMYL PEPTIDE 2 RECEPTOR AND FORMYL PEPTIDE 1 RECEPTOR AGONISTS Bristol-Myers Squibb Company (US) 2018-12-19 EP disclosed
WO-2017100390-A1 PIPERIDINONE FORMYL PEPTIDE 2 RECEPTOR AND FORMYL PEPTIDE 1 RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2017-06-15 WO disclosed