SCHEMBL31662858

SCHEMBL31662858

COCCn1nc(-c2ccc(C=O)c(OC(F)F)c2)cc1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 1/20 0.38
PDE4D Q08499 11/20 0.38
PDE4A P27815 4/20 0.38
PDE4B Q07343 4/20 0.38
PDE4C Q08493 4/20 0.38
TP53 P04637 4/20 0.35
MDM2 Q00987 4/20 0.35
MAP3K12 Q12852 1/20 0.34
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL31662943 0.88 PDE4D (0.38) PDE4DPDE4APDE4BPDE4CTP53
SCHEMBL31662882 0.84 DRD1 (0.40) PDE4DPDE4APDE4BPDE4CTP53
SCHEMBL31663072 0.80 PDE4D (0.41) PDE4D
SCHEMBL31663278 0.73 GRIN2B (0.37)
SCHEMBL31662955 0.73 SMN1; SMN2 (0.38) PDE4DPDE4APDE4BPDE4CTP53
SCHEMBL28060611 0.73 DRD1 (0.51) ALDH1A1LMNAKDM4EMAPTHPGD
SCHEMBL31663302 0.73 PHGDH (0.34) PDE4DPDE4APDE4BPDE4CTP53
SCHEMBL31663184 0.72 PTGES (0.38) PDE4DMAP3K12
SCHEMBL17279865 0.72 TACR3 (0.46) TACR3TP53MDM2ALDH1A1LMNA
SCHEMBL31663238 0.72 CHRNB2 (0.34) PDE4DPDE4APDE4BPDE4CTP53

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