SCHEMBL24968239

SCHEMBL24968239

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

nearest known ligand 0.43

Predicted protein targets (top 5)

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
SLC6A9 P48067 8/20 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
SCHEMBL28612709 0.85 GPR119 (0.40) CHRM4SLC6A9
SCHEMBL28612712 0.85 GPR119 (0.40) CHRM4SLC6A9
SCHEMBL24967976 0.81 ACACB (0.38) SLC6A9
SCHEMBL24967970 0.80 CHRM2 (0.43) CHRM2CHRM1CHRM4CHRM3SLC6A9
SCHEMBL24968958 0.80 CHRM2 (0.43) CHRM2CHRM1CHRM4CHRM3SLC6A9
SCHEMBL24968237 0.80 CXCR3 (0.39) CHRM2CHRM1CHRM4CHRM3
SCHEMBL26086799 0.77 CHRM2 (0.56) CHRM2CHRM1CHRM4CHRM3SLC6A9
SCHEMBL26087401 0.77 CHRM2 (0.56) CHRM2CHRM1CHRM4CHRM3SLC6A9
SCHEMBL27233857 0.77 CHRM2 (0.56) CHRM2CHRM1CHRM4CHRM3SLC6A9
SCHEMBL26087204 0.76 CHRM2 (0.55) CHRM2CHRM1CHRM4CHRM3SLC6A9

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