SCHEMBL31410431

SCHEMBL31410431

CC(C)(C)OC(=O)Nc1ccc(C(=O)N2C3CCC2CN(c2ncc(C(F)(F)F)cn2)C3)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TRPV4 Q9HBA0 7/20 0.48
▸ NAMPT P43490 1/20 0.41
▸ GPR119 Q8TDV5 2/20 0.41
▸ HDAC1 Q13547 1/20 0.40
▸ BCL2 P10415 3/20 0.40
▸ BECN1 Q14457 3/20 0.40
▸ SLC6A3 Q01959 1/20 0.40
▸ SLC6A7 Q99884 1/20 0.40
▸ NR3C1 P04150 1/20 0.40
▸ ACACB O00763 1/20 0.39
▸ CYP17A1 P05093 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
SCHEMBL24962970 0.79 GPR119 (0.57) TRPV4GPR119HDAC1ACACB
Hydrochloric Acid SCHEMBL31381920 0.79 TRPV4 (0.50) TRPV4SLC6A3SLC6A7ACACB
SCHEMBL31381983 0.78 TRPV4 (0.48) TRPV4GPR119SLC6A3SLC6A7ACACB
SCHEMBL31410471 0.78 TIPARP (0.44) TRPV4GPR119ACACB
SCHEMBL31410477 0.76 CCRL2 (0.43) TRPV4GPR119ACACB
SCHEMBL31410482 0.76 TRPV4 (0.49) TRPV4SLC6A3SLC6A7ACACB
SCHEMBL19754737 0.74 CHRM4 (0.49) ACACB
SCHEMBL25309274 0.73 GPR119 (0.52) GPR119HDAC1ACACB
SCHEMBL30286395 0.72 ACACB (0.45) TRPV4GPR119HDAC1ACACB
SCHEMBL31410454 0.72 GPR119 (0.45) TRPV4GPR119NR3C1

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-2025045246-A1 PARP7 INHIBITOR AND USE THEREOF 重庆华森英诺生物科技有限公司 2025-03-06 — — WO disclosed
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