SCHEMBL23933759

SCHEMBL23933759

CO[C@H](CCc1cccc(Cl)c1)C(=O)NC/C=C/CN

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MASP2 O00187 1/20 0.42
IDO1 P14902 2/20 0.41
TDO2 P48775 1/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
ALDH1A1 P00352 4/20 0.40
TAAR1 Q96RJ0 2/20 0.40
CNR1 P21554 1/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
HPGD P15428 1/20 0.39
MAPT P10636 2/20 0.38
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
SLC2A1 P11166 1/20 0.38
CYP3A4 P08684 1/20 0.38
AGXT P21549 1/20 0.38
PLAAT3 P53816 1/20 0.37
PLAAT5 Q96KN8 1/20 0.37

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
SCHEMBL23933765 1.00 MASP2 (0.42) MASP2IDO1TDO2KMT2AMEN1
SCHEMBL23933762 1.00 MASP2 (0.42) MASP2IDO1TDO2KMT2AMEN1
SCHEMBL23933796 0.89 PNMT (0.43) IDO1CNR1POLBCYP3A4AGXT
SCHEMBL23933798 0.89 PNMT (0.43) IDO1CNR1POLBCYP3A4AGXT
SCHEMBL23933793 0.89 PNMT (0.43) IDO1CNR1POLBCYP3A4AGXT
SCHEMBL23933760 0.87 MTNR1A (0.46) IDO1ALDH1A1TAAR1CNR1SMN1; SMN2
SCHEMBL23933766 0.87 MTNR1A (0.46) IDO1ALDH1A1TAAR1CNR1SMN1; SMN2
SCHEMBL23933764 0.87 MTNR1A (0.46) IDO1ALDH1A1TAAR1CNR1SMN1; SMN2
SCHEMBL23959547 0.86 TSHR (0.43) KMT2AALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL23933768 0.84 ALDH1A1 (0.43) MASP2IDO1TDO2KMT2AMEN1

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