SCHEMBL23744726

SCHEMBL23744726

C[C@@H]1CN(c2cnc3cc(F)ccc3n2)C[C@H](C)N1C(=O)NC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 6/20 0.52
CHRM2 P08172 4/20 0.51
CHRM1 P11229 4/20 0.51
CHRM5 P08912 3/20 0.51
CHRM3 P20309 2/20 0.51
CCR3 P51677 2/20 0.49
SIGMAR1 Q99720 5/20 0.48
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.48
KMT2A Q03164 1/20 0.48
HCAR2 Q8TDS4 1/20 0.47
SLC6A12 P48065 1/20 0.47
TMEM97 Q5BJF2 1/20 0.47
MCHR1 Q99705 1/20 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
SCHEMBL23744527 1.00 CHRM4 (0.52) CHRM4CHRM2CHRM1CHRM5CHRM3
SCHEMBL23744544 0.91 HCAR2 (0.57) CHRM4CHRM2CHRM1CHRM5CHRM3
SCHEMBL23744728 0.91 HCAR2 (0.57) CHRM4CHRM2CHRM1CHRM5CHRM3
SCHEMBL23744464 0.90 CHRM2 (0.55) CHRM4CHRM2CHRM1CHRM5CHRM3
SCHEMBL23744463 0.90 CHRM2 (0.55) CHRM4CHRM2CHRM1CHRM5CHRM3
SCHEMBL23744733 0.89 KDM4E (0.52) CHRM4CHRM2CHRM1CHRM5CHRM3
SCHEMBL23744528 0.89 KDM4E (0.52) CHRM4CHRM2CHRM1CHRM5CHRM3
SCHEMBL26087529 0.88 HCAR2 (0.46) CHRM4CHRM2CHRM1CHRM5CHRM3
SCHEMBL26089803 0.88 HCAR2 (0.46) CHRM4CHRM2CHRM1CHRM5CHRM3
SCHEMBL23744456 0.86 CHRM4 (0.47) CHRM4CHRM2CHRM1CHRM5CHRM3

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