SCHEMBL31381945

SCHEMBL31381945

O=C(O)N1CC[C@H](C(=O)N2C3CCC2CN(c2ncc(C(F)(F)F)cn2)C3)C1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TIPARP Q7Z3E1 1/20 0.41
▸ TRPV4 Q9HBA0 3/20 0.41
▸ CHRM2 P08172 2/20 0.40
▸ CHRM1 P11229 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ SLC6A9 P48067 10/20 0.39
▸ PARP1 P09874 1/20 0.39
▸ ACACB O00763 1/20 0.39

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
SCHEMBL31410387 0.85 GPR119 (0.45) TIPARPTRPV4PARP1
SCHEMBL31410454 0.85 GPR119 (0.45) TIPARPTRPV4PARP1
SCHEMBL31381887 0.85 GPR119 (0.45) TIPARPTRPV4PARP1
SCHEMBL29169000 0.85 PARP1 (0.50) TIPARPCHRM2CHRM1KDM4EABL1
SCHEMBL29169002 0.85 PARP1 (0.50) TIPARPCHRM2CHRM1KDM4EABL1
Hydrochloric Acid SCHEMBL31410396 0.84 GPR119 (0.44) TIPARPTRPV4PARP1
SCHEMBL30286395 0.84 ACACB (0.45) TIPARPTRPV4CHRM2CHRM1SLC6A9
Hydrochloric Acid SCHEMBL31381924 0.79 TIPARP (0.44) TIPARPTRPV4CHRM2CHRM1KDM4E
Hydrochloric Acid SCHEMBL31381929 0.78 TIPARP (0.44) TIPARPTRPV4SLC6A9ACACB
Hydrochloric Acid SCHEMBL31381888 0.78 TIPARP (0.44) TIPARPTRPV4SLC6A9ACACB

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
CN-119330972-A PARP7 inhibitor and application thereof 重庆华森英诺生物科技有限公司 2025-01-21 — — CN disclosed
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