SCHEMBL5666298

SCHEMBL5666298

CCN(CC)C(=O)C(c1ccccn1)N(C)Cc1ccc2nc(N)ccc2c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PLAU P00749 2/20 0.36
▸ NOS1 P29475 7/20 0.35
▸ NOS2 P35228 5/20 0.35
▸ TEC P42680 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ CYP2D6 P10635 1/20 0.33
▸ KCNE1 P15382 1/20 0.33
▸ KCNA5 P22460 1/20 0.33
▸ MC4R P32245 1/20 0.33
▸ MC3R P41968 1/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ USP30 Q70CQ3 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ PPARG P37231 1/20 0.33
▸ PPARA Q07869 1/20 0.33

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
SCHEMBL5666297 0.89 KLKB1 (0.37) CYP2C19CYP2D6KCNE1KCNA5MC4R
SCHEMBL5664748 0.89 BCHE (0.34) PLAUNOS1NOS2USP30
SCHEMBL4986155 0.87 PLAU (0.40) PLAUNOS1NOS2CYP2C19MC4R
SCHEMBL5667138 0.83 ALOX12 (0.36) PLAUTP53MAPT
SCHEMBL5664871 0.80 PLAU (0.38) PLAUNOS1TECHDAC3
SCHEMBL5664741 0.79 RAB9A (0.36) —
SCHEMBL4986144 0.77 MEN1 (0.40) CYP2C19MC4RMC3RMAPT
SCHEMBL5664693 0.74 PLAU (0.40) PLAUNOS1NOS2
SCHEMBL5667134 0.73 OPRM1 (0.40) PLAUTP53MAPT
SCHEMBL5009972 0.71 PLAU (0.40) PLAU

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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