SCHEMBL10982811

SCHEMBL10982811

CCCCCCC=CCCc1cccnc1C#N

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FAAH O00519 8/20 0.45
CES1 P23141 2/20 0.42
DAGLA Q9Y4D2 2/20 0.42
CYP11B1 P15538 1/20 0.40
MMP2 P08253 2/20 0.40
F7 P08709 2/20 0.40
F3 P13726 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
ECE1 P42892 1/20 0.40
SGMS1 Q86VZ5 1/20 0.40
SGMS2 Q8NHU3 1/20 0.40
MUS81 Q96NY9 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SAE1 Q9UBE0 1/20 0.40

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
SCHEMBL10988111 1.00 FAAH (0.45) FAAHCES1DAGLACYP11B1MMP2
SCHEMBL10982482 0.95 F7 (0.45) FAAHCES1DAGLAMMP2F7
SCHEMBL10986240 0.90 BID (0.43) FAAHCES1DAGLACYP11B1MMP2
SCHEMBL10982801 0.86 CYP11B1 (0.46) CYP11B1HSD17B10SAE1
SCHEMBL29907810 0.86 CYP11B1 (0.46) CYP11B1HSD17B10SAE1
SCHEMBL9440243 0.86 CYP11B1 (0.46) CYP11B1HSD17B10SAE1
SCHEMBL27764936 0.84 CYP11B1 (0.47) CYP11B1HSD17B10SAE1
SCHEMBL5233261 0.82 CYP11B1 (0.48) CYP11B1KDM4E
SCHEMBL10982827 0.80 CYSLTR2 (0.39) FAAHCES1DAGLA
SCHEMBL10982754 0.80 CYSLTR2 (0.39) FAAHCES1DAGLA

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
US-4555520-A 2-Pyridylcarboxamides which inhibit arachidonic acid release E. R. SQUIBB & SONS, INC. (US) 1985-11-26 US disclosed