SCHEMBL6232316

SCHEMBL6232316

NCCCC(=O)N1Cc2ccccc2C1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 3/20 0.58
DPP7 Q9UHL4 3/20 0.58
DPP9 Q86TI2 1/20 0.58
HDAC3 O15379 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
SIGMAR1 Q99720 2/20 0.52
HPGD P15428 2/20 0.50
TSHR P16473 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HSD17B10 Q99714 1/20 0.50
NOTUM Q6P988 1/20 0.50
NAMPT P43490 3/20 0.49
DPP4 P27487 2/20 0.48
CACNA1G O43497 1/20 0.48
LMNA P02545 2/20 0.48
MAPT P10636 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
ALDH1A1 P00352 2/20 0.48

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
SCHEMBL5068881 0.92 NOTUM (0.53) DPP8DPP7DPP9HDAC3HDAC1
SCHEMBL29367172 0.88 HDAC3 (0.63) HDAC3HDAC1HDAC10HDAC11HPGD
SCHEMBL28500343 0.86 HDAC3 (0.66) HDAC3HDAC1HDAC10HDAC11HPGD
SCHEMBL550056 0.85 HDAC3 (0.56) DPP8DPP7DPP9HDAC3HDAC1
SCHEMBL25143330 0.82 NOTUM (0.55) DPP8DPP7DPP9HDAC3HDAC1
SCHEMBL6228768 0.81 HDAC3 (0.68) DPP8DPP7HDAC3HDAC1HDAC10
SCHEMBL29987139 0.79 NOTUM (0.52) DPP8DPP9HDAC3HDAC1HDAC10
SCHEMBL24817140 0.79 NOTUM (0.52) DPP8DPP9HDAC3HDAC1HDAC10
SCHEMBL4689799 0.79 HDAC3 (0.57) HDAC3HDAC1HDAC10HDAC11HPGD
SCHEMBL28893796 0.77 HDAC3 (0.52) DPP8DPP9HDAC3HDAC1HDAC10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1595866-A1 COMPOUND INHIBITING DIPEPTIDYL PEPTIDASE IV Sanwa Kagaku Kenkyusho Co., Ltd. (JP) 2005-11-16 EP disclosed