SCHEMBL23933764

SCHEMBL23933764

COc1cccc(CCC(OC)C(=O)NC/C=C/CN)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.46
MTNR1B P49286 2/20 0.46
TAAR1 Q96RJ0 1/20 0.46
CNR1 P21554 1/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
IDO1 P14902 1/20 0.42
AGXT P21549 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL23933766 1.00 MTNR1A (0.46) MTNR1AMTNR1BTAAR1CNR1HDAC1
SCHEMBL23933760 1.00 MTNR1A (0.46) MTNR1AMTNR1BTAAR1CNR1HDAC1
SCHEMBL23933909 0.89 TAAR1 (0.47) MTNR1AMTNR1BTAAR1CNR1IDO1
SCHEMBL23933910 0.89 TAAR1 (0.47) MTNR1AMTNR1BTAAR1CNR1IDO1
SCHEMBL23933911 0.89 TAAR1 (0.47) MTNR1AMTNR1BTAAR1CNR1IDO1
SCHEMBL23933759 0.87 MASP2 (0.42) TAAR1CNR1IDO1AGXTALDH1A1
SCHEMBL23933762 0.87 MASP2 (0.42) TAAR1CNR1IDO1AGXTALDH1A1
SCHEMBL23933765 0.87 MASP2 (0.42) TAAR1CNR1IDO1AGXTALDH1A1
SCHEMBL23959547 0.86 TSHR (0.43) ALDH1A1SMN1; SMN2
SCHEMBL23933850 0.79 FPR2 (0.39) 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