SCHEMBL9306473

SCHEMBL9306473

CCCCCCCCCCCCCCOc1ccc(CN(Cc2ccccn2)C(C)=O)cc1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.51
HSD17B10 Q99714 1/20 0.51
TRPM8 Q7Z2W7 1/20 0.50
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
TSHR P16473 1/20 0.46
ENPP2 Q13822 1/20 0.46

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
SCHEMBL9308154 0.92 HSD17B10 (0.52) HPGDHSD17B10TRPM8KDM4EALDH1A1
SCHEMBL9308313 0.88 CYP2D6 (0.47) L3MBTL1
SCHEMBL9307850 0.84 LMNA (0.57) TSHR
SCHEMBL9306979 0.83 HPGD (0.56) HPGDHSD17B10TSHR
SCHEMBL9308501 0.82 HPGD (0.47) HPGDHSD17B10KDM4EALDH1A1TSHR
SCHEMBL9307035 0.82 MAPT (0.44) HPGDHSD17B10TRPM8ALDH1A1
SCHEMBL9305774 0.82 NFKB1 (0.57) TRPM8TSHR
SCHEMBL9308107 0.81 TRPM8 (0.55) HPGDHSD17B10TRPM8TSHR
SCHEMBL9308959 0.80 CXCR3 (0.48) HPGDHSD17B10KDM4EALDH1A1TSHR
SCHEMBL2189143 0.79 TRPM8 (0.47) HPGDHSD17B10TRPM8ALDH1A1L3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5328921-A Antagonist of platelet activating factor AMERICAN CYANAMID COMPANY (US) 1994-07-12 US disclosed
US-5208247-A Antianaphylactic agents or septic shock AMERICAN CYANAMID COMPANY (US) 1993-05-04 US disclosed
EP-0530444-A1 Aryl, amide, imide, and carbamate pyridine antagonists of platelet activating factor AMERICAN CYANAMID COMPANY (US) 1993-03-10 EP disclosed