SCHEMBL23933909

SCHEMBL23933909

COc1cccc(C[C@H](OC)C(=O)NC/C=C/CN)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.47
IDO1 P14902 1/20 0.44
AGXT P21549 1/20 0.44
ALDH1A1 P00352 2/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MMP13 P45452 1/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
CNR1 P21554 1/20 0.42
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42
HPGD P15428 1/20 0.42
HIF1A Q16665 1/20 0.42

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
SCHEMBL23933911 1.00 TAAR1 (0.47) TAAR1IDO1AGXTALDH1A1HTT
SCHEMBL23933910 1.00 TAAR1 (0.47) TAAR1IDO1AGXTALDH1A1HTT
SCHEMBL23933764 0.89 MTNR1A (0.46) TAAR1IDO1AGXTALDH1A1HTT
SCHEMBL23933766 0.89 MTNR1A (0.46) TAAR1IDO1AGXTALDH1A1HTT
SCHEMBL23933760 0.89 MTNR1A (0.46) TAAR1IDO1AGXTALDH1A1HTT
SCHEMBL23933796 0.86 PNMT (0.43) IDO1AGXTCNR1
SCHEMBL23933798 0.86 PNMT (0.43) IDO1AGXTCNR1
SCHEMBL23933793 0.86 PNMT (0.43) IDO1AGXTCNR1
SCHEMBL23933767 0.85 SRR (0.50)
SCHEMBL23933769 0.85 SRR (0.50)

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 2 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