SCHEMBL24967970

SCHEMBL24967970

CC1CN(c2ncc(C(F)(F)F)cn2)CCN1C

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 6/20 0.43
CHRM1 P11229 6/20 0.43
CHRM4 P08173 6/20 0.43
CHRM3 P20309 3/20 0.43
OGA O60502 2/20 0.41
WDR5 P61964 2/20 0.40
SLC6A9 P48067 4/20 0.40

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
SCHEMBL24968958 1.00 CHRM2 (0.43) CHRM2CHRM1CHRM4CHRM3OGA
SCHEMBL15858041 0.81 GAA (0.53) CHRM2CHRM1
SCHEMBL82292 0.81 ADRA2A (0.41) OGAWDR5SLC6A9
SCHEMBL24968239 0.80 CHRM2 (0.43) CHRM2CHRM1CHRM4CHRM3SLC6A9
SCHEMBL14314163 0.79 TLR7 (0.45) CHRM2CHRM1CHRM4CHRM3SLC6A9
SCHEMBL19035624 0.77 GRM1 (0.49)
SCHEMBL20159117 0.77 GRM1 (0.49)
SCHEMBL18825788 0.77 OGA (0.49) OGA
SCHEMBL23744096 0.76 HTR2C (0.42) CHRM2CHRM1CHRM4CHRM3OGA
SCHEMBL21520912 0.76 HTR2C (0.42) CHRM2CHRM1CHRM4CHRM3OGA

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-2023006013-A1 NOVEL PARP7 INHIBITOR AND USE THEREOF 上海齐鲁制药研究中心有限公司 2023-02-02 WO disclosed