SCHEMBL31662983

SCHEMBL31662983

O=Cc1ccc(-c2cc[nH]n2)cc1OC(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.45
PDE4B Q07343 3/20 0.45
PDE4C Q08493 3/20 0.45
PDE4D Q08499 3/20 0.45
PDE3B Q13370 2/20 0.45
PDE3A Q14432 2/20 0.45
LMNA P02545 2/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
CYP2C19 P33261 1/20 0.45
BLM P54132 1/20 0.45
PMP22 Q01453 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
DRD1 P21728 3/20 0.38
GRIN2B Q13224 6/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL3605697 0.82 PDE4D (0.55) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL31662923 0.80 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL28052513 0.77 SMN1; SMN2 (0.46) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL28060611 0.75 DRD1 (0.51) LMNAHPGDSMN1; SMN2DRD1ALDH1A1
SCHEMBL17003768 0.72 PDE4D (0.50) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL31663025 0.71 ENPP3 (0.44) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL16793341 0.71 DRD1 (0.42) LMNAHPGDSMN1; SMN2DRD1ALDH1A1
SCHEMBL11260550 0.71 ALDH1A1 (0.50) LMNAHPGDSMN1; SMN2DRD1ALDH1A1
SCHEMBL31662976 0.70 POLB (0.39) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL31663008 0.70 DRD1 (0.41) PDE4APDE4BPDE4CPDE4DPDE3B

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