SCHEMBL25075358

SCHEMBL25075358

CC1CCN(c2ncc(C(F)(F)F)cn2)CC1=O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LCAT P04180 1/20 0.41
▸ CXCR3 P49682 1/20 0.40
▸ GPR119 Q8TDV5 3/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TIPARP Q7Z3E1 3/20 0.38
▸ CHRM2 P08172 5/20 0.38
▸ CHRM1 P11229 5/20 0.38
▸ CHRM3 P20309 3/20 0.38
▸ CHRM4 P08173 2/20 0.38
▸ CHRM5 P08912 1/20 0.38
▸ ACACB O00763 1/20 0.37
▸ OGA O60502 2/20 0.37
▸ SLC6A9 P48067 1/20 0.36

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
SCHEMBL25756325 0.79 TIPARP (0.50) LCATCXCR3GPR119TIPARPOGA
SCHEMBL25075310 0.78 CXCR3 (0.39) LCATCXCR3GPR119TIPARPCHRM2
SCHEMBL29208723 0.76 SMN1; SMN2 (0.44) GPR119KDM4ETIPARPSLC6A9
SCHEMBL24964165 0.74 KDM4E (0.62) LCATKDM4EABL1LMNACHRM2
SCHEMBL25899065 0.72 GPR119 (0.41) LCATCXCR3GPR119OGA
SCHEMBL19435009 0.72 OGA (0.45) LCATGPR119KDM4EABL1LMNA
SCHEMBL19435030 0.72 OGA (0.45) LCATGPR119KDM4EABL1LMNA
SCHEMBL19434300 0.72 OGA (0.45) LCATGPR119KDM4EABL1LMNA
SCHEMBL23335993 0.72 IDH2 (0.48) LCATCXCR3GPR119KDM4EABL1
SCHEMBL355858 0.72 LCAT (0.48) LCATGPR119KDM4EABL1LMNA

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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