SCHEMBL29862138

SCHEMBL29862138

CCOC(=O)N1[C@H](C)CN(c2cnc(C(F)(F)F)cn2)C[C@H]1C

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.50
CHRM1 P11229 2/20 0.50
CHRM5 P08912 1/20 0.50
CHRM3 P20309 1/20 0.50
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD11B1 P28845 1/20 0.40
SLC6A9 P48067 8/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
TRPV4 Q9HBA0 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
SCHEMBL29861845 1.00 CHRM2 (0.50) CHRM2CHRM1CHRM5CHRM3HPGD
SCHEMBL23459168 0.84 CHRM2 (0.54) CHRM2CHRM1CHRM5CHRM3HSD11B1
SCHEMBL23459164 0.84 CHRM2 (0.54) CHRM2CHRM1CHRM5CHRM3HSD11B1
SCHEMBL23459171 0.84 CHRM2 (0.54) CHRM2CHRM1CHRM5CHRM3HSD11B1
Hydrochloric Acid SCHEMBL23459169 0.83 CHRM2 (0.53) CHRM2CHRM1CHRM5CHRM3HSD11B1
SCHEMBL29862128 0.83 CHRM2 (0.53) CHRM2CHRM1CHRM5CHRM3HSD11B1
SCHEMBL23459165 0.83 CHRM2 (0.53) CHRM2CHRM1CHRM5CHRM3HSD11B1
SCHEMBL23459162 0.83 CHRM2 (0.53) CHRM2CHRM1CHRM5CHRM3HSD11B1
SCHEMBL23744275 0.78 CHRM2 (0.72) CHRM2CHRM1CHRM5CHRM3
SCHEMBL29861853 0.78 CHRM2 (0.74) CHRM2CHRM1CHRM5CHRM3

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
EP-4069367-A1 MUSCARINIC RECEPTOR 4 ANTAGONISTS AND METHODS OF USE Neurocrine Biosciences, Inc. (US) 2022-10-12 EP disclosed