SCHEMBL902043

SCHEMBL902043

NCC(N)C(=O)N1CCNC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 9/20 0.40
DPP4 P27487 5/20 0.38
DPP8 Q6V1X1 3/20 0.37
DPP9 Q86TI2 2/20 0.37
CA2 P00918 2/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA9 Q16790 1/20 0.35
CHKA P35790 1/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
CHRNB3 Q05901 1/20 0.33
CHRNA6 Q15825 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
SCHEMBL22248848 0.89 CA2 (0.42) DPP7DPP4DPP8DPP9CA2
SCHEMBL14850861 0.89 CA2 (0.42) DPP7DPP4DPP8DPP9CA2
SCHEMBL20386751 0.89 CA2 (0.42) DPP7DPP4DPP8DPP9CA2
SCHEMBL14843027 0.78 DPP7 (0.44) DPP7DPP4DPP8DPP9
SCHEMBL14850782 0.78 DPP7 (0.44) DPP7DPP4DPP8DPP9
SCHEMBL6820644 0.74 DPP7 (0.56) DPP7DPP4DPP8DPP9CA2
SCHEMBL6823435 0.74 DPP7 (0.56) DPP7DPP4DPP8DPP9CA2
SCHEMBL16435188 0.74 DPP7 (0.46) DPP7DPP4DPP8DPP9
SCHEMBL16435187 0.73 DPP7 (0.59) DPP7DPP4DPP8DPP9
SCHEMBL10842135 0.73 CA2 (0.42) DPP7DPP4CA2CA12CA1

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-2621535-A1 THIAZOLIDINE LINKER FOR THE CONJUGATION OF DRUGS TO ANTIBODIES Philogen S.p.A. (IT) 2013-08-07 EP disclosed
WO-2012041451-A1 THIAZOLIDINE LINKER FOR THE CONJUGATION OF DRUGS TO ANTIBODIES PHILOGEN S.P.A. (IT) 2012-04-05 WO disclosed