SCHEMBL31662933

SCHEMBL31662933

Cn1c(-c2ccc(C=O)c(OC(F)F)c2)cnc1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.45
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
ATP1A1 P05023 2/20 0.38
ATP1B1 P05026 2/20 0.38
ATP1A3 P13637 2/20 0.38
ATP1B2 P14415 2/20 0.38
ATP1A2 P50993 2/20 0.38
ATP1B3 P54709 2/20 0.38
FXYD2 P54710 2/20 0.38
ATP1A4 Q13733 2/20 0.38
LDLR P01130 1/20 0.38
PCSK9 Q8NBP7 1/20 0.38
DRD1 P21728 1/20 0.36
COMT P21964 1/20 0.36
BACE1 P56817 3/20 0.35
MAP4K4 O95819 1/20 0.35
PDE4D Q08499 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 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
SCHEMBL31663072 0.79 PDE4D (0.41) DRD1PDE4DPOLBNPSR1
SCHEMBL28060611 0.78 DRD1 (0.51) DRD1POLBMEN1KMT2A
SCHEMBL31662882 0.76 DRD1 (0.40) PDE3BPDE3ADRD1PDE4DCYP1A2
SCHEMBL31662950 0.73 ALOX15 (0.50) DRD1CYP1A2POLBMEN1KMT2A
SCHEMBL31663217 0.73 ALOX15 (0.50) DRD1CYP1A2MEN1KMT2A
SCHEMBL31662954 0.72 MAPT (0.43) HPGDSDRD1MEN1KMT2A
SCHEMBL31662943 0.72 PDE4D (0.38) DRD1PDE4DPOLB
SCHEMBL31662955 0.71 SMN1; SMN2 (0.38) PDE3BPDE3ADRD1PDE4DCYP1A2
SCHEMBL31662999 0.71 GRIN2B (0.35) PDE3BPDE3ADRD1PDE4DCYP1A2
SCHEMBL31663267 0.70 KMT2A (0.43) DRD1POLBMEN1KMT2A

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