SCHEMBL25075310

SCHEMBL25075310

CCC1CCCN(c2ncc(C(F)(F)F)cn2)CC1=O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CXCR3 P49682 1/20 0.39
▸ CHRM4 P08173 6/20 0.39
▸ GPR119 Q8TDV5 4/20 0.37
▸ CHRM2 P08172 6/20 0.37
▸ CHRM1 P11229 6/20 0.37
▸ CHRM3 P20309 3/20 0.37
▸ TIPARP Q7Z3E1 1/20 0.37
▸ LCAT P04180 1/20 0.36
▸ DPP4 P27487 1/20 0.35

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
SCHEMBL25075358 0.78 LCAT (0.41) CXCR3CHRM4GPR119CHRM2CHRM1
SCHEMBL29208723 0.73 SMN1; SMN2 (0.44) GPR119TIPARP
SCHEMBL14314163 0.72 TLR7 (0.45) CHRM4CHRM2CHRM1CHRM3
SCHEMBL24968333 0.71 OGA (0.46) CXCR3TIPARPLCAT
SCHEMBL23341097 0.70 OGA (0.45) —
SCHEMBL23341085 0.69 IDH2 (0.52) —
SCHEMBL23341096 0.69 IDH2 (0.52) —
SCHEMBL25899065 0.68 GPR119 (0.41) CXCR3GPR119LCAT
SCHEMBL29729367 0.67 EIF2AK4 (0.57) —
SCHEMBL25075257 0.66 AOC3 (0.44) TIPARPLCAT

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-2023020479-A1 PARP7 INHIBITOR AND APPLICATION THEREOF 重庆华森制药股份有限公司 2023-02-23 — — WO disclosed
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