SCHEMBL24045798

SCHEMBL24045798

O=C1C=CCCN1c1ccc(-c2ccccc2F)nc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.38
IL4I1 Q96RQ9 1/20 0.38
CYP11B1 P15538 3/20 0.37
CYP11B2 P19099 2/20 0.37
GRM2 Q14416 1/20 0.36
ALOX5AP P20292 6/20 0.35
FEN1 P39748 6/20 0.35
MPL P40238 1/20 0.35
MCHR1 Q99705 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
DGAT1 O75907 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
SCHEMBL24045702 0.80 DGAT1 (0.44) CYP11B1CYP11B2GRM2MCHR1L3MBTL1
SCHEMBL24045701 0.79 KDM1A (0.50) ALOX5APFEN1
SCHEMBL24045721 0.75 CNR2 (0.43) CYP11B1CYP11B2ALOX5APFEN1DGAT1
SCHEMBL24045883 0.73 FPR2 (0.40) DGAT1
SCHEMBL24045791 0.71 CYP11B2 (0.38) NPC1CYP11B1CYP11B2DGAT1
SCHEMBL24045881 0.69 PTPRC (0.42) CYP11B1CYP11B2ALOX5APFEN1
SCHEMBL24045707 0.67 DGAT1 (0.44) NPC1MCHR1DGAT1
SCHEMBL24045898 0.67 SLC6A7 (0.40) MCHR1
SCHEMBL24045767 0.67 FPR2 (0.42) L3MBTL1
SCHEMBL14266793 0.66 MAPT (0.37) NPC1

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