SCHEMBL9832722

SCHEMBL9832722

Nc1n[nH]cc1CC(=O)CCCCCCCCCCCCCCc1ccccc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 2/20 0.39
GLS O94925 1/20 0.37
TAAR1 Q96RJ0 2/20 0.36
ALDH1A1 P00352 2/20 0.35
MAOB P27338 1/20 0.34
PARP15 Q460N3 1/20 0.34
PARP14 Q460N5 1/20 0.34
PARP10 Q53GL7 1/20 0.34
HDAC1 Q13547 1/20 0.34
HCAR3 P49019 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
VNN1 O95497 1/20 0.33
DAO P14920 1/20 0.33
PTGER1 P34995 1/20 0.33
PTGFR P43088 1/20 0.33
NR3C2 P08235 1/20 0.33
LPL P06858 1/20 0.33
LIPC P11150 1/20 0.33

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
SCHEMBL9832892 0.82 NAAA (0.37) MPOGLS
SCHEMBL9832047 0.80 HRH1 (0.45) GLSPARP10HDAC1
SCHEMBL9834514 0.78 HRH1 (0.41) ALDH1A1MAPT
SCHEMBL9833192 0.78 ALDH1A1 (0.37) GLSALDH1A1HDAC1
SCHEMBL9832110 0.77 TDP1 (0.41) GLSL3MBTL1
SCHEMBL9833469 0.76 HDAC1 (0.46) GLSTAAR1HDAC1DAONR3C2
SCHEMBL9833331 0.76 HDAC1 (0.47) TAAR1HDAC1NR3C2
SCHEMBL9833965 0.75 NAAA (0.41) HCAR3
SCHEMBL13492011 0.70 MAPT (0.59) TAAR1ALDH1A1HDAC1MAPTPTGER1
SCHEMBL30427741 0.70 MAPT (0.59) TAAR1ALDH1A1HDAC1MAPTPTGER1

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
EP-0129846-B1 (3-AMINO-1H-PYRAZOL-4-YL)(ARYL)METHANONES AMERICAN CYANAMID COMPANY (US) 1991-05-08 EP claimed