SCHEMBL23933793

SCHEMBL23933793

CO[C@@H](Cc1cccc(Cl)c1)C(=O)NC/C=C/CN

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.43
CTSL P07711 7/20 0.41
CTSB P07858 6/20 0.40
CTSV O60911 6/20 0.40
CTSS P25774 6/20 0.40
CTSK P43235 6/20 0.40
CYP3A4 P08684 1/20 0.40
IDO1 P14902 1/20 0.40
AGXT P21549 1/20 0.40
CNR1 P21554 1/20 0.39
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38

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
SCHEMBL23933796 1.00 PNMT (0.43) PNMTCTSLCTSBCTSVCTSS
SCHEMBL23933798 1.00 PNMT (0.43) PNMTCTSLCTSBCTSVCTSS
SCHEMBL23933858 0.89 CTSL (0.43) PNMTCTSLCTSBCTSVCTSS
SCHEMBL23933861 0.89 CTSL (0.43) PNMTCTSLCTSBCTSVCTSS
SCHEMBL23933860 0.89 CTSL (0.43) PNMTCTSLCTSBCTSVCTSS
SCHEMBL23933759 0.89 MASP2 (0.42) CYP3A4IDO1AGXTCNR1POLB
SCHEMBL23933762 0.89 MASP2 (0.42) CYP3A4IDO1AGXTCNR1POLB
SCHEMBL23933765 0.89 MASP2 (0.42) CYP3A4IDO1AGXTCNR1POLB
SCHEMBL23933870 0.85 SRR (0.50) CYP3A4PPARGPPARA
SCHEMBL23933763 0.85 SRR (0.50) CYP3A4PPARGPPARA

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