SCHEMBL31465737

SCHEMBL31465737

COC1CC(NC(=O)c2ccc(N3CCNCC3)c(F)n2)C1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 14/20 0.45
CD38 P28907 3/20 0.41
SCN9A Q15858 1/20 0.41
CYP2D6 P10635 1/20 0.38
CYP2B6 P20813 1/20 0.38
CYP2C19 P33261 1/20 0.38
BACE1 P56817 1/20 0.38
PARP2 Q9UGN5 10/20 0.37
PARP6 Q2NL67 5/20 0.37
PARP3 Q9Y6F1 4/20 0.37
TNKS O95271 3/20 0.37
KCNH2 Q12809 2/20 0.36
HTR3A P46098 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
SCHEMBL25323925 0.85 PARP1 (0.52) PARP1CD38BACE1PARP2
Hydrochloric Acid SCHEMBL25320690 0.84 PARP1 (0.51) PARP1BACE1PARP2
SCHEMBL31514765 0.82 PARP1 (0.43) PARP1SCN9ABACE1PARP2PARP6
SCHEMBL31424664 0.81 BACE1 (0.41) PARP1BACE1PARP2PARP6PARP3
SCHEMBL22912765 0.79 PARP1 (0.51) PARP1BACE1PARP2PARP6PARP3
SCHEMBL24198477 0.79 KDM4E (0.44) PARP1CYP2C19BACE1PARP2HTR3A
Hydrochloric Acid SCHEMBL25235124 0.78 PARP1 (0.50) PARP1BACE1PARP2PARP6PARP3
Hydrochloric Acid SCHEMBL29394088 0.78 PARP1 (0.50) PARP1BACE1PARP2PARP6PARP3
Hydrochloric Acid SCHEMBL30413981 0.78 PARP1 (0.50) PARP1BACE1PARP2PARP6PARP3
Hydrochloric Acid SCHEMBL26092566 0.78 KDM4E (0.46) PARP1CYP2C19BACE1PARP2HTR3A

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-2025067417-A1 FUSED LACTAM RING COMPOUND AND USE THEREOF 成都赜灵生物医药科技有限公司 2025-04-03 WO disclosed