Sugi Predict

Sugi Predict / Compounds / SCHEMBL23744454

SCHEMBL23744454

SCHEMBL23744454

C[C@@H]1CN(c2cnc(C(F)(F)F)cn2)C[C@H](C)N1C(=O)NCC1CCN(CCC(C)(C)C)CC1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 5/20 0.62
▸ CHRM1 P11229 5/20 0.62
▸ CHRM5 P08912 3/20 0.62
▸ CHRM3 P20309 3/20 0.62
▸ CACNA1I Q9P0X4 5/20 0.51
▸ KCNH2 Q12809 3/20 0.51
▸ CHRM4 P08173 8/20 0.47

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
SCHEMBL23744418 0.91 CHRM2 (0.64) CHRM2CHRM1CHRM5CHRM3CHRM4
SCHEMBL30345524 0.87 CHRM2 (0.52) CHRM2CHRM1CHRM5CHRM3CACNA1I
SCHEMBL26089244 0.87 CHRM2 (0.52) CHRM2CHRM1CHRM5CHRM3CACNA1I
SCHEMBL23744071 0.84 CHRM2 (0.86) CHRM2CHRM1CHRM5CHRM3CHRM4
SCHEMBL23744643 0.84 CHRM2 (0.86) CHRM2CHRM1CHRM5CHRM3CHRM4
SCHEMBL23744600 0.84 CHRM1 (0.61) CHRM2CHRM1CHRM5CHRM3CACNA1I
SCHEMBL23744449 0.84 CHRM1 (0.61) CHRM2CHRM1CHRM5CHRM3CACNA1I
SCHEMBL30345569 0.81 CHRM2 (0.54) CHRM2CHRM1CHRM5CHRM3CHRM4
SCHEMBL26086939 0.81 CHRM2 (0.54) CHRM2CHRM1CHRM5CHRM3CHRM4
SCHEMBL26430665 0.80 CHRM2 (0.78) CHRM2CHRM1CHRM5CHRM3CHRM4

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