SCHEMBL31662953

SCHEMBL31662953

O=Cc1ccc(-c2cn(-c3ccc(F)cc3)cn2)cc1OC(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 2/20 0.37
PSEN1 P49768 7/20 0.36
PSEN2 P49810 7/20 0.36
APH1B Q8WW43 7/20 0.36
NCSTN Q92542 7/20 0.36
APH1A Q96BI3 7/20 0.36
PSENEN Q9NZ42 7/20 0.36
FLT3 P36888 1/20 0.36
MAP4K4 O95819 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
NLRP3 Q96P20 1/20 0.35
POLB P06746 1/20 0.34
GRIN2B Q13224 1/20 0.32
PDE4A P27815 2/20 0.32
PDE4B Q07343 2/20 0.32
PDE4C Q08493 2/20 0.32
PDE4D Q08499 2/20 0.32
PDE3B Q13370 2/20 0.32
PDE3A Q14432 2/20 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
SCHEMBL31663148 0.83 NPC1 (0.47) DRD1MAP4K4NPC1RAB9ANLRP3
SCHEMBL31662976 0.80 POLB (0.39) DRD1FLT3POLBGRIN2BPDE4A
SCHEMBL31662997 0.77 POLB (0.39) POLBGRIN2BKCNH2
SCHEMBL15034498 0.74 NPC1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL16793341 0.72 DRD1 (0.42) DRD1LMNAHPGDSMN1; SMN2ALDH1A1
SCHEMBL19244917 0.72 NPC1 (0.42) MAP4K4NPC1RAB9ANLRP3
SCHEMBL1230371 0.70 MAOA (0.42) MAP4K4NPC1RAB9ANLRP3MAPK1
SCHEMBL31663008 0.70 DRD1 (0.41) DRD1NLRP3PDE4APDE4BPDE4C
SCHEMBL31662983 0.70 PDE4A (0.45) DRD1POLBGRIN2BPDE4APDE4B
SCHEMBL31662834 0.68 DRD1 (0.41) DRD1GRIN2BKCNH2

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