SCHEMBL31381983

SCHEMBL31381983

NC(=O)Oc1ccc(C(=O)N2C3CCC2CN(c2ncc(C(F)(F)F)cn2)C3)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TRPV4 Q9HBA0 9/20 0.48
▸ SLC6A3 Q01959 1/20 0.44
▸ SLC6A7 Q99884 1/20 0.44
▸ KIF11 P52732 1/20 0.42
▸ ELOVL6 Q9H5J4 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ GPR119 Q8TDV5 1/20 0.40
▸ ACACB O00763 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ ABL1 P00519 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38

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
Hydrochloric Acid SCHEMBL31381920 0.86 TRPV4 (0.50) TRPV4SLC6A3SLC6A7ELOVL6ACACB
SCHEMBL31410431 0.78 TRPV4 (0.48) TRPV4SLC6A3SLC6A7GPR119ACACB
SCHEMBL30286395 0.76 ACACB (0.45) TRPV4KCNH2GPR119ACACB
SCHEMBL24962970 0.73 GPR119 (0.57) TRPV4KCNH2GPR119ACACB
SCHEMBL31410482 0.73 TRPV4 (0.49) TRPV4SLC6A3SLC6A7ACACB
SCHEMBL30286308 0.72 ACACB (0.42) ACACBKDM4EABL1LMNA
Hydrochloric Acid SCHEMBL31381924 0.72 TIPARP (0.44) TRPV4ACACBKDM4EABL1LMNA
SCHEMBL4396815 0.72 SLC6A7 (0.72) SLC6A3SLC6A7KDM4EABL1LMNA
SCHEMBL28968501 0.71 GPR119 (0.48) GPR119ACACBKDM4EABL1LMNA
Hydrochloric Acid SCHEMBL31381868 0.69 ACACB (0.40) TRPV4ACACB

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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