SCHEMBL31663072

SCHEMBL31663072

Cn1nc(-c2ccccc2)cc1-c1ccc(C=O)c(OC(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 13/20 0.41
DRD1 P21728 2/20 0.40
PDE5A O76074 1/20 0.36
ASIC1 P78348 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
STIM1 Q13586 1/20 0.36
ORAI1 Q96D31 1/20 0.36
POLB P06746 1/20 0.35

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
SCHEMBL31662882 0.95 DRD1 (0.40) PDE4DDRD1ASIC1NPSR1STIM1
SCHEMBL31663302 0.85 PHGDH (0.34) PDE4DDRD1ASIC1
SCHEMBL31662999 0.83 GRIN2B (0.35) PDE4DDRD1PDE5A
SCHEMBL31663238 0.82 CHRNB2 (0.34) PDE4DDRD1
SCHEMBL31662943 0.81 PDE4D (0.38) PDE4DDRD1POLB
SCHEMBL31663086 0.81 GRIN2B (0.35) PDE4D
SCHEMBL31662858 0.80 TACR3 (0.38) PDE4D
SCHEMBL31662933 0.79 HPGDS (0.45) PDE4DDRD1NPSR1POLB
SCHEMBL28060611 0.79 DRD1 (0.51) DRD1POLB
SCHEMBL31662955 0.76 SMN1; SMN2 (0.38) PDE4DDRD1POLB

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