SCHEMBL5492428

SCHEMBL5492428

NC([C]=O)CCn1ccnn1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.46
CYP19A1 P11511 5/20 0.33
FOLH1 Q04609 1/20 0.33
PADI4 Q9UM07 2/20 0.32
CYP1A1 P04798 1/20 0.31

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
SCHEMBL28150959 0.76 DPP4 (0.49) DPP4CYP19A1FOLH1PADI4CYP1A1
SCHEMBL28150958 0.76 DPP4 (0.49) DPP4CYP19A1FOLH1PADI4CYP1A1
SCHEMBL5492431 0.75 DPP4 (0.46) DPP4CYP19A1FOLH1PADI4CYP1A1
SCHEMBL24233113 0.74 FOLH1 (0.45) DPP4CYP19A1FOLH1PADI4CYP1A1
SCHEMBL5499917 0.74 DPP4 (0.44) DPP4CYP19A1FOLH1PADI4CYP1A1
SCHEMBL5499057 0.74 DPP4 (0.44) DPP4CYP19A1FOLH1PADI4CYP1A1
SCHEMBL14656409 0.74 FOLH1 (0.45) DPP4CYP19A1FOLH1PADI4CYP1A1
SCHEMBL14844800 0.72
SCHEMBL5499916 0.72 DPP4 (0.43) DPP4CYP19A1FOLH1PADI4CYP1A1
SCHEMBL27115174 0.72 DPP4 (0.43) DPP4CYP19A1FOLH1PADI4CYP1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1100816-B1 AEROTHRICIN ANALOGS, THEIR PREPARATION AND USE BASILEA PHARMACEUTICA AG (CH) 2007-08-08 EP disclosed
EP-1251827-B1 NASALLY ADMINISTRABLE ANTIFUNGAL CYCLIC PEPTIDE COMPOSITIONS BASILEA PHARMACEUTICA AG (CH) 2004-05-26 EP disclosed
US-6489440-B1 Cyclic compounds BASILEA PHARMACEUTICA AG (CH) 2002-12-03 US disclosed