SCHEMBL938992

SCHEMBL938992

N[C@@H]([C]=O)CCC[C@@H]([C]=O)NC(=O)[C@@H](N)CCC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.47
DPP9 Q86TI2 4/20 0.47
DPP8 Q6V1X1 3/20 0.47
LMNA P02545 2/20 0.41
CYP2D6 P10635 1/20 0.41
NFKB1 P19838 1/20 0.41
MAPT P10636 1/20 0.41
GRM8 O00222 1/20 0.41
GRM6 O15303 1/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GSR P00390 1/20 0.41
CYP1A2 P05177 1/20 0.41
GRIK1 P39086 1/20 0.41
GRM5 P41594 1/20 0.41
GRIA1 P42261 1/20 0.41
GRIA2 P42262 1/20 0.41
GRIA3 P42263 1/20 0.41
SLC1A3 P43003 1/20 0.41
SLC1A2 P43004 1/20 0.41

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
SCHEMBL9142314 0.88 DPP4 (0.54) DPP4DPP9DPP8LMNACYP2D6
SCHEMBL1889778 0.85 DPP8 (0.47) DPP4DPP9DPP8LMNACYP2D6
SCHEMBL1600752 0.82 DPP4 (0.49) DPP4DPP9DPP8LMNACYP2D6
SCHEMBL8991336 0.82 DPP9 (0.53) DPP4DPP9DPP8LMNACYP2D6
SCHEMBL28492009 0.81 DPP4 (0.51) DPP4DPP9DPP8LMNACYP2D6
SCHEMBL939991 0.81 NOD1 (0.41) DPP4DPP9DPP8GABRPGABRD
SCHEMBL9273038 0.81 DPP4 (0.48) DPP4DPP9DPP8LMNACYP2D6
SCHEMBL1534386 0.80 DPP4 (0.50) DPP4DPP9DPP8LMNACYP2D6
SCHEMBL3240642 0.80 DPP4 (0.50) DPP4DPP9DPP8LMNACYP2D6
SCHEMBL1888867 0.79 FOLH1 (0.47) DPP4DPP9DPP8LMNACYP2D6

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
US-7869957-B2 Methods and systems to identify operational reaction pathways THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-01-11 US disclosed