SCHEMBL26611752

SCHEMBL26611752

COc1cc(C)c(OC)nc1CCNC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.39
TAAR1 Q96RJ0 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
POLB P06746 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
NAMPT P43490 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36

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
SCHEMBL26611992 0.87 SMN1; SMN2 (0.44) SMN1; SMN2MAPTKMT2AMEN1RXFP1
SCHEMBL26611719 0.86 MTNR1A (0.39) ALDH1A1KMT2AMEN1RXFP1RAB9A
SCHEMBL26611757 0.86 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1MAPTKMT2AMEN1
SCHEMBL31414675 0.84 BRD4 (0.43) ALDH1A1MAPTHTTPOLB
SCHEMBL26698054 0.84 BRD4 (0.43) ALDH1A1MAPTHTTPOLB
SCHEMBL26611516 0.84 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1MAPTKMT2AMEN1
SCHEMBL26611517 0.83 KMT2A (0.36) SMN1; SMN2ALDH1A1MAPTKMT2AMEN1
SCHEMBL26611482 0.82 MTNR1A (0.43) ALDH1A1KMT2AMEN1CA12CA1
SCHEMBL26611576 0.82 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1KMT2AMEN1POLB
SCHEMBL26612275 0.81 NSD2 (0.42) SMN1; SMN2KMT2A

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-2023205116-A1 PYRIDINE DERIVATIVES FOR TREATING PSYCHIATRIC DISORDERS GILGAMESH PHARMACEUTICALS, INC. (US) 2023-10-26 WO disclosed