SCHEMBL31410482

SCHEMBL31410482

CC(C)(C)c1cc(C(=O)N2C3CCC2CN(c2ncc(C(F)(F)F)cn2)C3)ccc1NC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TRPV4 Q9HBA0 14/20 0.49
▸ CHRM2 P08172 1/20 0.40
▸ CHRM1 P11229 1/20 0.40
▸ SLC6A3 Q01959 1/20 0.39
▸ SLC6A7 Q99884 1/20 0.39
▸ ACACB O00763 1/20 0.38
▸ TIPARP Q7Z3E1 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
SCHEMBL31410431 0.76 TRPV4 (0.48) TRPV4SLC6A3SLC6A7ACACB
Hydrochloric Acid SCHEMBL31381920 0.75 TRPV4 (0.50) TRPV4CHRM2SLC6A3SLC6A7ACACB
SCHEMBL30286395 0.73 ACACB (0.45) TRPV4CHRM2CHRM1ACACBTIPARP
SCHEMBL31381983 0.73 TRPV4 (0.48) TRPV4SLC6A3SLC6A7ACACB
SCHEMBL24962970 0.69 GPR119 (0.57) TRPV4CHRM2CHRM1ACACBTIPARP
SCHEMBL31410443 0.69 TRPV4 (0.43) TRPV4SLC6A3SLC6A7TIPARP
SCHEMBL27173051 0.66 TIPARP (0.47) TRPV4CHRM2CHRM1ACACBTIPARP
Hydrochloric Acid SCHEMBL31381888 0.66 TIPARP (0.44) TRPV4ACACBTIPARP
Hydrochloric Acid SCHEMBL31381929 0.66 TIPARP (0.44) TRPV4ACACBTIPARP
SCHEMBL26125453 0.66 ACACB (0.42) CHRM2CHRM1ACACBTIPARP

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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