SCHEMBL29862128

SCHEMBL29862128

CC1CN(c2cnc(C(F)(F)F)cn2)CC(C)N1C(=O)Cl

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.53
CHRM1 P11229 2/20 0.53
CHRM5 P08912 1/20 0.53
CHRM3 P20309 1/20 0.53
HSD11B1 P28845 1/20 0.45
SLC6A9 P48067 11/20 0.40
EIF2AK4 Q9P2K8 1/20 0.37
PARP1 P09874 1/20 0.37
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
SCHEMBL23459165 1.00 CHRM2 (0.53) CHRM2CHRM1CHRM5CHRM3HSD11B1
SCHEMBL23459162 1.00 CHRM2 (0.53) CHRM2CHRM1CHRM5CHRM3HSD11B1
SCHEMBL23744125 0.90 CHRM2 (0.48) CHRM2CHRM1CHRM5CHRM3HSD11B1
SCHEMBL23459168 0.88 CHRM2 (0.54) CHRM2CHRM1CHRM5CHRM3HSD11B1
SCHEMBL23459164 0.88 CHRM2 (0.54) CHRM2CHRM1CHRM5CHRM3HSD11B1
SCHEMBL23459171 0.88 CHRM2 (0.54) CHRM2CHRM1CHRM5CHRM3HSD11B1
Hydrochloric Acid SCHEMBL23459169 0.87 CHRM2 (0.53) CHRM2CHRM1CHRM5CHRM3HSD11B1
SCHEMBL29862138 0.83 CHRM2 (0.50) CHRM2CHRM1CHRM5CHRM3HSD11B1
SCHEMBL29861845 0.83 CHRM2 (0.50) CHRM2CHRM1CHRM5CHRM3HSD11B1
SCHEMBL18231725 0.78 CHRM2 (0.43) CHRM2CHRM1CHRM5CHRM3SLC6A9

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