SCHEMBL31662923

SCHEMBL31662923

Cc1cc(-c2ccc(C=O)c(OC(F)F)c2)n[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.48
PDE4B Q07343 3/20 0.48
PDE4C Q08493 3/20 0.48
PDE4D Q08499 3/20 0.48
PDE3B Q13370 2/20 0.48
PDE3A Q14432 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
LMNA P02545 2/20 0.48
TP53 P04637 1/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
BLM P54132 1/20 0.48
PMP22 Q01453 1/20 0.48
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL31662983 0.80 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL18157268 0.73 SMN1; SMN2 (0.42) SMN1; SMN2LMNATP53MAPK1NPC1
SCHEMBL28060611 0.72 DRD1 (0.51) SMN1; SMN2LMNAHPGDNPC1RAB9A
SCHEMBL31662955 0.72 SMN1; SMN2 (0.38) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL31662978 0.71 DRD1 (0.36) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL31662882 0.70 DRD1 (0.40) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL31663025 0.68 ENPP3 (0.44) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL21497027 0.68 DRD1 (0.43) DRD1MEN1KMT2A
SCHEMBL11260550 0.68 ALDH1A1 (0.50) SMN1; SMN2LMNAHPGDL3MBTL1DRD1
SCHEMBL16793341 0.68 DRD1 (0.42) SMN1; SMN2LMNAHPGDL3MBTL1DRD1

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-2025149498-A1 BENZYLPIPERIDINE DERIVATIVES AS TRP4 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES ASTRAZENECA AB (SE) 2025-07-17 WO disclosed