SCHEMBL9833965

SCHEMBL9833965

Nc1n[nH]cc1CC(=O)CCCCCCCCCCCCCCc1ccoc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.41
CETP P11597 1/20 0.34
ALOX5 P09917 1/20 0.32
HCAR3 P49019 1/20 0.31
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 0.31
CNR2 P34972 1/20 0.31
CES1 P23141 2/20 0.30
NCEH1 Q6PIU2 2/20 0.30
FAAH O00519 1/20 0.30
PTPN2 P17706 1/20 0.30
PTPN1 P18031 1/20 0.30
DUSP3 P51452 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 1/20 0.30

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
SCHEMBL9834514 0.82 HRH1 (0.41) NAAACES1NCEH1FAAH
SCHEMBL9832892 0.81 NAAA (0.37) NAAAFAAH
SCHEMBL9833181 0.81 HDAC3 (0.44) NAAA
SCHEMBL9832110 0.81 TDP1 (0.41) NAAAFAAH
SCHEMBL9833192 0.79 ALDH1A1 (0.37) ALOX5
SCHEMBL9837576 0.79 ALOX5 (0.46) ALOX5FAAH
SCHEMBL9833469 0.77 HDAC1 (0.46) NAAACES1NCEH1
SCHEMBL9834740 0.76 ALOX5 (0.44) ALOX5
SCHEMBL9832722 0.75 MPO (0.39) HCAR3
SCHEMBL9833331 0.75 HDAC1 (0.47)

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