SCHEMBL23933749

SCHEMBL23933749

NC/C=C/CNC(=O)[C@@H](O)CCc1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.38
GAA P10253 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
HPGD P15428 1/20 0.37
CNR1 P21554 1/20 0.36
AOC2 O75106 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
AOC3 Q16853 1/20 0.36
NLN Q9BYT8 1/20 0.36
FFAR1 O14842 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
VNN1 O95497 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL23933882 1.00 DPP4 (0.38) DPP4GAATAAR1HPGDCNR1
SCHEMBL23933752 1.00 DPP4 (0.38) DPP4GAATAAR1HPGDCNR1
SCHEMBL23933754 1.00 DPP4 (0.38) DPP4GAATAAR1HPGDCNR1
SCHEMBL23933782 0.86 METAP2 (0.44) CNR1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL23933788 0.86 METAP2 (0.44) CNR1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL23933785 0.86 METAP2 (0.44) CNR1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL23933850 0.82 FPR2 (0.39) DPP4HPGDNLNALDH1A1MEN1
SCHEMBL23933848 0.82 FPR2 (0.39) DPP4HPGDNLNALDH1A1MEN1
SCHEMBL23933852 0.82 FPR2 (0.39) DPP4HPGDNLNALDH1A1MEN1
SCHEMBL23933768 0.77 ALDH1A1 (0.43) TAAR1HPGDCNR1ALDH1A1SMN1; SMN2

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
WO-2021217041-A1 N-SUBSTITUTED ALPHA-AMINO AND ALPHA-HYDROXY CARBOXAMIDE DERIVATIVES IMMVENTION THERAPEUTIX (US) 2021-10-28 WO claimed