SCHEMBL9795643

SCHEMBL9795643

CCCCCCCCc1cccc(N2CC(=O)NC(=O)N2)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LPL P06858 3/20 0.46
LIPG Q9Y5X9 3/20 0.46
ALOX5 P09917 2/20 0.43
DHFR P00374 2/20 0.43
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
ADRB2 P07550 2/20 0.38
ADRB1 P08588 2/20 0.38
ADRB3 P13945 2/20 0.38
FAAH O00519 1/20 0.37
MGLL Q99685 1/20 0.37
S1PR3 Q99500 1/20 0.37

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
SCHEMBL9795515 0.90 ALOX5 (0.47) ALOX5MGLL
SCHEMBL9795591 0.84 ALOX5 (0.59) ALOX5MGLL
SCHEMBL9795723 0.79 MAPT (0.46) ALOX5
SCHEMBL9644485 0.77 ALOX5 (0.74) ALOX5
SCHEMBL9795597 0.72 ALOX5 (0.58) ALOX5ADRB1MGLL
SCHEMBL9795688 0.71 MAPT (0.46) ALOX5
SCHEMBL9795775 0.71 ALOX5 (0.40) ALOX5
SCHEMBL7829766 0.71 HTR1A (0.48) LPLLIPGDHFRPPARGPPARA
SCHEMBL11823695 0.70 ADRB2 (0.53) LPLLIPGDHFRPPARGPPARA
SCHEMBL9795613 0.69 ALOX5 (0.59) ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5023255-A Triazine derivatives; inhibitors exzyme 5-lipoxygenase GLAXO GROUP LIMITED (GB) 1991-06-11 US disclosed
EP-0388165-A2 Chemical compounds GLAXO GROUP LIMITED (GB) 1990-09-19 EP disclosed