SCHEMBL31662955

SCHEMBL31662955

Cc1cc(-c2ccc(C=O)c(OC(F)F)c2)nn1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.38
RAB9A P51151 6/20 0.38
NPC1 O15118 5/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 3/20 0.38
STAT1 P42224 1/20 0.38
NFKB1 P19838 2/20 0.37
NFKB2 Q00653 2/20 0.37
RELA Q04206 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
DRD1 P21728 1/20 0.36
MAPK1 P28482 2/20 0.36
KDM4E B2RXH2 1/20 0.35
PKM P14618 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
TSHR P16473 2/20 0.34
GFER P55789 1/20 0.34
NLRP3 Q96P20 1/20 0.34
PTGS2 P35354 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
SCHEMBL31662869 0.83 GRIN2B (0.35) PDE4D
SCHEMBL31662954 0.79 MAPT (0.43) SMN1; SMN2RAB9ANPC1ALDH1A1MAPT
SCHEMBL31662882 0.79 DRD1 (0.40) SMN1; SMN2ALDH1A1DRD1MAPK1TSHR
SCHEMBL31663267 0.77 KMT2A (0.43) SMN1; SMN2RAB9AALDH1A1MAPTNFKB1
SCHEMBL31662978 0.77 DRD1 (0.36) SMN1; SMN2NPC1ALDH1A1MAPTDRD1
SCHEMBL31663072 0.76 PDE4D (0.41) DRD1POLBPDE4D
SCHEMBL31662943 0.76 PDE4D (0.38) SMN1; SMN2DRD1POLBTP53PDE4A
SCHEMBL28060611 0.75 DRD1 (0.51) SMN1; SMN2RAB9ANPC1ALDH1A1MAPT
SCHEMBL31663008 0.72 DRD1 (0.41) SMN1; SMN2ALDH1A1DRD1MAPK1PKM
SCHEMBL31662976 0.72 POLB (0.39) SMN1; SMN2L3MBTL1DRD1MAPK1KDM4E

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