SCHEMBL23744449

SCHEMBL23744449

C[C@@H]1CN(c2ncc(C(F)(F)F)cn2)C[C@@H](C)N1C(=O)NCC1CCN(CCC(C)(C)C)CC1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 6/20 0.61
CHRM2 P08172 6/20 0.61
CACNA1I Q9P0X4 2/20 0.55
KCNH2 Q12809 1/20 0.55
CHRM3 P20309 4/20 0.53
CHRM5 P08912 1/20 0.53
CHRM4 P08173 11/20 0.51

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
SCHEMBL23744600 1.00 CHRM1 (0.61) CHRM1CHRM2CACNA1IKCNH2CHRM3
SCHEMBL26430720 0.95 CHRM1 (0.55) CHRM1CHRM2CACNA1IKCNH2CHRM3
SCHEMBL26430739 0.95 CHRM1 (0.55) CHRM1CHRM2CACNA1IKCNH2CHRM3
SCHEMBL23744510 0.92 CHRM2 (0.64) CHRM1CHRM2CHRM3CHRM5CHRM4
SCHEMBL23744422 0.92 CHRM2 (0.64) CHRM1CHRM2CHRM3CHRM5CHRM4
SCHEMBL23744641 0.87 CHRM1 (0.54) CHRM1CHRM2CACNA1IKCNH2CHRM3
SCHEMBL23744599 0.87 CHRM1 (0.54) CHRM1CHRM2CACNA1IKCNH2CHRM3
SCHEMBL26090366 0.87 CHRM1 (0.51) CHRM1CHRM2CACNA1IKCNH2CHRM3
SCHEMBL26086720 0.87 CHRM1 (0.51) CHRM1CHRM2CACNA1IKCNH2CHRM3
SCHEMBL23744454 0.84 CHRM2 (0.62) CHRM1CHRM2CACNA1IKCNH2CHRM3

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-2021158698-A1 MUSCARINIC RECEPTOR 4 ANTAGONISTS AND METHODS OF USE NEUROCRINE BIOSCIENCES, INC. (US) 2021-08-12 WO disclosed