SCHEMBL26611482

SCHEMBL26611482

COc1cc(C2CC2)c(OC)nc1CCNC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.43
MTNR1B P49286 5/20 0.43
NQO2 P16083 2/20 0.39
MEN1 O00255 1/20 0.37
EPHX1 P07099 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 2/20 0.35
LRRK2 Q5S007 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL31414661 0.85 DRD2 (0.39) MTNR1AMTNR1BNQO2EPHX1
SCHEMBL26699241 0.85 DRD2 (0.39) MTNR1AMTNR1BNQO2EPHX1
SCHEMBL26611752 0.82 SMN1; SMN2 (0.39) MTNR1AMTNR1BMEN1KMT2AALDH1A1
SCHEMBL26611992 0.81 SMN1; SMN2 (0.44) MTNR1AMTNR1BMEN1KMT2A
SCHEMBL26611757 0.80 SMN1; SMN2 (0.43) MTNR1AMTNR1BMEN1KMT2AALDH1A1
SCHEMBL26611719 0.80 MTNR1A (0.39) MTNR1AMTNR1BMEN1KMT2AALDH1A1
SCHEMBL26612108 0.80 ACACB (0.36) MTNR1AMTNR1BNQO2LRRK2
SCHEMBL31414697 0.78 HTR2A (0.50)
SCHEMBL26612257 0.78 HTR2A (0.50)
SCHEMBL26611516 0.78 SMN1; SMN2 (0.44) MTNR1AMTNR1BMEN1KMT2AALDH1A1

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