SCHEMBL31410443

SCHEMBL31410443

O=C(c1ccc(NCc2c[nH]c(=O)c(C(F)(F)F)c2)cc1)N1C2CCC1CN(c1ncc(C(F)(F)F)cn1)C2

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TRPV4 Q9HBA0 7/20 0.43
▸ TIPARP Q7Z3E1 9/20 0.42
▸ SLC6A3 Q01959 1/20 0.37
▸ SLC6A7 Q99884 1/20 0.37
▸ HDAC3 O15379 2/20 0.36
▸ HDAC4 P56524 2/20 0.36
▸ HDAC1 Q13547 2/20 0.36
▸ HDAC7 Q8WUI4 2/20 0.36
▸ HDAC2 Q92769 2/20 0.36
▸ HDAC10 Q969S8 2/20 0.36
▸ HDAC11 Q96DB2 2/20 0.36
▸ HDAC8 Q9BY41 2/20 0.36
▸ HDAC6 Q9UBN7 2/20 0.36
▸ HDAC9 Q9UKV0 2/20 0.36
▸ HDAC5 Q9UQL6 2/20 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
SCHEMBL31410485 0.81 TIPARP (0.44) TRPV4TIPARPHDAC3HDAC4HDAC1
SCHEMBL27233753 0.77 GPR119 (0.40) TRPV4TIPARP
Hydrochloric Acid SCHEMBL31381920 0.73 TRPV4 (0.50) TRPV4SLC6A3SLC6A7
SCHEMBL31410431 0.71 TRPV4 (0.48) TRPV4SLC6A3SLC6A7HDAC1
SCHEMBL31381983 0.70 TRPV4 (0.48) TRPV4SLC6A3SLC6A7
SCHEMBL31410427 0.70 TIPARP (0.51) TRPV4TIPARPHDAC3HDAC4HDAC1
SCHEMBL31410433 0.70 TIPARP (0.47) TIPARP
SCHEMBL24967971 0.69 TIPARP (0.42) TIPARP
SCHEMBL24968343 0.69 TIPARP (0.42) TIPARP
SCHEMBL24968356 0.69 TIPARP (0.42) TIPARP

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
Send feedback