SCHEMBL31381283

SCHEMBL31381283

Cc1cccc2ccc(N3CCC(F)(C(=O)O)CC3)nc12

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 7/20 0.47
▸ GAA P10253 3/20 0.41
▸ HTR3A P46098 1/20 0.41
▸ PTGER4 P35408 1/20 0.40
▸ PDE10A Q9Y233 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ ALDH1A1 P00352 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
SCHEMBL30754826 0.85 PTGES (0.43) PTGESGAAPDE10A
SCHEMBL17714308 0.77 PTGES (0.53) PTGESGAAPDE10AKDM4E
SCHEMBL23714071 0.76 GAA (0.62) PTGESGAAHTR3APDE10AKDM4E
SCHEMBL31381213 0.74 PTGES (0.50) PTGESGAAHTR3APDE10A
SCHEMBL21180887 0.73 PTGES (0.53) PTGESHTR3APDE10AKDM4ETDP1
SCHEMBL28161314 0.73 PTGES (0.54) PTGESGAAHTR3APDE10AKDM4E
SCHEMBL15830277 0.73 GAA (0.68) PTGESGAAHTR3AKDM4EL3MBTL1
SCHEMBL17714481 0.71 PTGES (0.73) PTGESGAAHTR3APDE10AKDM4E
SCHEMBL17714315 0.71 PTGES (0.73) PTGESGAAHTR3APDE10AKDM4E
SCHEMBL3436707 0.71 TRPV1 (0.47) —

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-119497709-A Pyrimidine derivatives ASKA 制药株式会社 2025-02-21 — — CN disclosed
Send feedback