SCHEMBL23933852

SCHEMBL23933852

COC(CCc1ccc(F)cc1)C(=O)NCC=CCN

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.39
ALDH1A1 P00352 1/20 0.39
JUN P05412 1/20 0.38
DPP4 P27487 1/20 0.38
HPGD P15428 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
MAPK1 P28482 2/20 0.36
TSHR P16473 1/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MME P08473 1/20 0.36
KLK7 P49862 1/20 0.35
NLN Q9BYT8 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
SCHEMBL23933850 1.00 FPR2 (0.39) FPR2ALDH1A1JUNDPP4HPGD
SCHEMBL23933848 1.00 FPR2 (0.39) FPR2ALDH1A1JUNDPP4HPGD
SCHEMBL23959547 0.88 TSHR (0.43) ALDH1A1KMT2ATSHRKDM4E
SCHEMBL23933754 0.82 DPP4 (0.38) ALDH1A1DPP4HPGDKMT2AMEN1
SCHEMBL23933749 0.82 DPP4 (0.38) ALDH1A1DPP4HPGDKMT2AMEN1
SCHEMBL23933882 0.82 DPP4 (0.38) ALDH1A1DPP4HPGDKMT2AMEN1
SCHEMBL23933752 0.82 DPP4 (0.38) ALDH1A1DPP4HPGDKMT2AMEN1
SCHEMBL23933765 0.79 MASP2 (0.42) ALDH1A1HPGDKMT2AMEN1POLB
SCHEMBL23933762 0.79 MASP2 (0.42) ALDH1A1HPGDKMT2AMEN1POLB
SCHEMBL23933766 0.79 MTNR1A (0.46) ALDH1A1

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