SCHEMBL5517109

SCHEMBL5517109

O=C(O)C(CCNc1ccccn1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
GAA P10253 2/20 0.50
FABP1 P07148 1/20 0.50
FABP6 P51161 1/20 0.50
CYP2C19 P33261 1/20 0.50
FDPS P14324 1/20 0.50
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
PKM P14618 2/20 0.49
CXCR4 P61073 1/20 0.47
ITGB3 P05106 6/20 0.47
ITGAV P06756 6/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
ITGB1 P05556 2/20 0.46
ITGB5 P18084 2/20 0.46
ITGB6 P18564 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ADORA3 P0DMS8 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
SCHEMBL5524164 0.90 ITGB3 (0.51) CYP1A2CYP2D6GAAFABP1FABP6
SCHEMBL2240414 0.86 CYP2D6 (0.48) CYP1A2CYP2D6GAAFABP1FABP6
SCHEMBL2240407 0.86 CYP2D6 (0.48) CYP1A2CYP2D6GAAFABP1FABP6
SCHEMBL2237077 0.80 ANPEP (0.48) CYP1A2CYP2D6CYP2C19FDPSITGB3
SCHEMBL2237084 0.80 ANPEP (0.48) CYP1A2CYP2D6CYP2C19FDPSITGB3
SCHEMBL243759 0.79 ITGB3 (0.63) CYP1A2CYP2D6GAAFABP1FABP6
SCHEMBL11166206 0.79 CYP2D6 (0.58) CYP1A2CYP2D6GAAFABP1FABP6
SCHEMBL2235478 0.79 ANPEP (0.53) CYP2D6ITGB3ITGAVITGB1ITGB5
SCHEMBL2235485 0.79 ANPEP (0.53) CYP2D6ITGB3ITGAVITGB1ITGB5
SCHEMBL17234281 0.79 CYP2D6 (0.58) CYP1A2CYP2D6GAAFABP1FABP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1470258-B1 COMPOSITION AND ITS USE FOR IMPARTING WATER REPELLENCY TO LEATHER OR FURSKINS, TEXTILES AND OTHER FIBROUS MATERIALS TFL LEDERTECHNIK GMBH (DE) 2013-08-28 EP disclosed
US-7250456-B2 Composition and its use for imparting water repellency to leather or furskins, textiles and other fibrous materials TFL LEDERTECHNIK GMBH (DE) 2007-07-31 US disclosed
US-20050148702-A1 Composition and its use for imparting water repellency to leather or furskins, textiles and other fibrous materials TFL LEDERTECHNIK GMBH (DE) 2005-07-07 US disclosed
EP-1470258-A1 COMPOSITION AND ITS USE FOR IMPARTING WATER REPELLENCY TO LEATHER OR FURSKINS, TEXTILES AND OTHER FIBROUS MATERIALS TFL Ledertechnik GmbH (DE) 2004-10-27 EP disclosed
WO-2003064707-A1 COMPOSITIONS AND ITS USE FOR IMPARTING WATER REPELLENCY TO LEATHER OR FURSKINS, TEXTILES AND OTHER FIBROUS MATERIALS TFL LEDERTECHNIK GMBH (DE) 2003-08-07 WO disclosed