SCHEMBL31514778

SCHEMBL31514778

CNC(=O)c1ccc(N2CC3CCC2CN3C(=O)OC(C)(C)C)c(F)n1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 2/20 0.45
▸ GRM2 Q14416 1/20 0.44
▸ GPR119 Q8TDV5 4/20 0.42
▸ IDH1 O75874 1/20 0.38
▸ PARP1 P09874 6/20 0.37
▸ PARP2 Q9UGN5 3/20 0.37
▸ KCNK3 O14649 4/20 0.36
▸ KCNK9 Q9NPC2 4/20 0.36
▸ PARP6 Q2NL67 1/20 0.36
▸ PARP3 Q9Y6F1 1/20 0.36
▸ HSD11B1 P28845 1/20 0.35
▸ BACE1 P56817 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
SCHEMBL31514813 0.92 HDAC1 (0.45) HDAC1GRM2GPR119PARP1PARP2
SCHEMBL31514777 0.92 HDAC1 (0.45) HDAC1GRM2GPR119PARP1PARP2
SCHEMBL31514767 0.89 GRM2 (0.45) HDAC1GRM2GPR119IDH1PARP1
SCHEMBL30979296 0.84 PARP1 (0.47) HDAC1GRM2GPR119PARP1HSD11B1
SCHEMBL31474243 0.84 PARP1 (0.47) HDAC1GRM2GPR119PARP1HSD11B1
SCHEMBL31097505 0.81 PARP1 (0.38) PARP1PARP2PARP6PARP3BACE1
SCHEMBL31514674 0.80 PARP1 (0.46) HDAC1GRM2GPR119PARP1HSD11B1
SCHEMBL31514688 0.80 PARP1 (0.46) HDAC1GRM2GPR119PARP1HSD11B1
SCHEMBL30869214 0.79 SMARCA2 (0.47) GPR119PARP1BACE1
SCHEMBL22912768 0.76 BACE1 (0.53) PARP1PARP2PARP6PARP3BACE1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025091346-A1 PARP INHIBITORS AND USES THEREOF SUZHOU EOC MEDICAL RESEARCH CO., LTD. (CN) 2025-05-08 — — WO disclosed
WO-2025092905-A1 PARP INHIBITORS AND USES THEREOF SUZHOU EOC MEDICAL RESEARCH CO., LTD. (CN) 2025-05-08 — — WO disclosed
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