SCHEMBL24045754

SCHEMBL24045754

COc1ccccc1-c1ccc(N2CCC=CC2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UGCG Q16739 6/20 0.46
PTPRC P08575 1/20 0.43
PTPN1 P18031 1/20 0.43
FPR2 P25090 1/20 0.41
GRM2 Q14416 1/20 0.41
MCHR1 Q99705 1/20 0.41
AVPR2 P30518 1/20 0.41
OXTR P30559 1/20 0.41
AVPR1A P37288 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KCNH2 Q12809 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
PKM P14618 1/20 0.40
HTR7 P34969 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL24045708 0.88 UGCG (0.41) UGCGFPR2NPC1RAB9A
SCHEMBL24045770 0.85 UGCG (0.47) UGCGNPC1RAB9AKCNH2
SCHEMBL24045889 0.84 S1PR1 (0.42) UGCGFPR2
SCHEMBL24045707 0.82 DGAT1 (0.44) MCHR1NPC1RAB9APKMHTR7
SCHEMBL24045911 0.80 NAAA (0.40) NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL24045702 0.80 DGAT1 (0.44) PTPRCPTPN1FPR2GRM2MCHR1
SCHEMBL24045719 0.79 RAB9A (0.36) NPC1RAB9APKMKDM4EALDH1A1
SCHEMBL24045755 0.77 FPR1 (0.42) FPR2NPC1RAB9APKMHTR7
SCHEMBL24045767 0.76 FPR2 (0.42) FPR2
SCHEMBL24045710 0.76 ESR2 (0.44) FPR2KDM4ELMNAMAPTHPGD

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