SCHEMBL5669411

SCHEMBL5669411

CCCCCNC(=O)C(NCc1ccc2nc(N)ccc2c1)c1ccccn1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 1/20 0.39
▸ MC4R P32245 1/20 0.37
▸ MC3R P41968 1/20 0.37
▸ MC1R Q01726 1/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ PLAU P00749 3/20 0.37
▸ ALOX5 P09917 2/20 0.36
▸ NAAA Q02083 2/20 0.35
▸ ALOX15 P16050 3/20 0.35
▸ ASAH1 Q13510 1/20 0.35
▸ PLG P00747 2/20 0.35
▸ PRSS1 P07477 2/20 0.35
▸ PRSS2 P07478 2/20 0.35
▸ PRSS3 P35030 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL5669409 0.90 KLKB1 (0.39) TLR2MC4RMC3RMC1RALOX12
SCHEMBL5667138 0.82 ALOX12 (0.36) ALOX12PLAUNAAAALOX15ASAH1
SCHEMBL5664871 0.82 PLAU (0.38) PLAU
SCHEMBL5664782 0.77 MTTP (0.43) —
SCHEMBL5667134 0.73 OPRM1 (0.40) ALOX12PLAUNAAAALOX15PLG
SCHEMBL5669914 0.72 KDM4E (0.48) PLAUNAAAPRSS1
SCHEMBL13993519 0.72 KDM4E (0.48) PLAUNAAAPRSS1
SCHEMBL5664866 0.72 KLKB1 (0.40) —
SCHEMBL4985659 0.71 MEN1 (0.42) PLAUSMN1; SMN2
SCHEMBL5664193 0.70 ALOX12 (0.52) TLR2ALOX12NAAAHTTSMN1; SMN2

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
EP-1716137-A1 SUBSTITUTED QUINOLINE COMPOUNDS Pfizer Products Incorporated (US) 2006-11-02 — — EP disclosed
WO-2005080373-A1 SUBSTITUTED QUINOLINE COMPOUNDS PFIZER PRODUCTS INC. (US) 2005-09-01 — — WO disclosed
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