SCHEMBL31662882

SCHEMBL31662882

Cn1nc(-c2ccc(C=O)c(OC(F)F)c2)cc1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 2/20 0.40
PDE4D Q08499 7/20 0.37
ASIC1 P78348 2/20 0.36
STAT3 P40763 4/20 0.35
POLB P06746 1/20 0.35
PDE4A P27815 2/20 0.34
PDE4B Q07343 2/20 0.34
PDE4C Q08493 2/20 0.34
PDE3B Q13370 2/20 0.34
PDE3A Q14432 2/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34

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
SCHEMBL31663072 0.95 PDE4D (0.41) DRD1PDE4DASIC1POLBNPSR1
SCHEMBL31663302 0.87 PHGDH (0.34) DRD1PDE4DASIC1PDE4APDE4B
SCHEMBL31662943 0.86 PDE4D (0.38) DRD1PDE4DPOLBPDE4APDE4B
SCHEMBL31662999 0.85 GRIN2B (0.35) DRD1PDE4DPDE4APDE4BPDE4C
SCHEMBL31662858 0.84 TACR3 (0.38) PDE4DPDE4APDE4BPDE4CLMNA
SCHEMBL31663238 0.84 CHRNB2 (0.34) DRD1PDE4DPDE4APDE4BPDE4C
SCHEMBL31663086 0.83 GRIN2B (0.35) PDE4D
SCHEMBL31662955 0.79 SMN1; SMN2 (0.38) DRD1PDE4DPOLBPDE4APDE4B
SCHEMBL28060611 0.79 DRD1 (0.51) DRD1POLBLMNAHPGDSMN1; SMN2
SCHEMBL31662933 0.76 HPGDS (0.45) DRD1PDE4DPOLBPDE3BPDE3A

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