SCHEMBL31662999

SCHEMBL31662999

Cc1ccc(-c2cc(-c3ccc(C=O)c(OC(F)F)c3)nn2C)cn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 5/20 0.35
GRIN1 Q05586 3/20 0.35
KCNH2 Q12809 1/20 0.35
PDE4D Q08499 9/20 0.35
PDE5A O76074 1/20 0.35
MAOB P27338 2/20 0.33
MAP3K12 Q12852 1/20 0.33
PDE4A P27815 2/20 0.32
PDE4B Q07343 2/20 0.32
PDE4C Q08493 2/20 0.32
PDE3B Q13370 2/20 0.32
PDE3A Q14432 2/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL31663086 0.86 GRIN2B (0.35) GRIN2BGRIN1PDE4D
SCHEMBL31662882 0.85 DRD1 (0.40) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL31663072 0.83 PDE4D (0.41) PDE4DPDE5ADRD1
SCHEMBL31663302 0.81 PHGDH (0.34) GRIN2BGRIN1PDE4DPDE4APDE4B
SCHEMBL31663238 0.78 CHRNB2 (0.34) GRIN2BPDE4DPDE4APDE4BPDE4C
SCHEMBL31663184 0.75 PTGES (0.38) GRIN2BGRIN1PDE4DMAP3K12
SCHEMBL31663278 0.73 GRIN2B (0.37) GRIN2BGRIN1
SCHEMBL31662943 0.72 PDE4D (0.38) PDE4DPDE4APDE4BPDE4CTP53
SCHEMBL31662955 0.71 SMN1; SMN2 (0.38) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL31662923 0.69 PDE4A (0.48) GRIN2BKCNH2PDE4DPDE4APDE4B

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