SCHEMBL939991

SCHEMBL939991

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 1/20 0.41
BMP1 P13497 3/20 0.38
DPP8 Q6V1X1 2/20 0.35
DPP4 P27487 1/20 0.35
DPP9 Q86TI2 1/20 0.35
NAALAD2 Q9Y3Q0 1/20 0.35
GABRP O00591 2/20 0.35
GABRD O14764 2/20 0.35
GABRA1 P14867 2/20 0.35
GABRB1 P18505 2/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA5 P31644 2/20 0.35
GABRA3 P34903 2/20 0.35
GABRA2 P47869 2/20 0.35
GABRB2 P47870 2/20 0.35
GABRA4 P48169 2/20 0.35
GABRE P78334 2/20 0.35
GABRA6 Q16445 2/20 0.35
GABRG1 Q8N1C3 2/20 0.35

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
SCHEMBL9177741 0.82 GABRP (0.47) NOD1DPP8DPP4DPP9NAALAD2
SCHEMBL9176465 0.82 GABRP (0.47) NOD1DPP8DPP4DPP9NAALAD2
SCHEMBL3913395 0.82 GABRP (0.47) NOD1DPP8DPP4DPP9NAALAD2
SCHEMBL27585242 0.82 GABRP (0.47) NOD1DPP8DPP4DPP9NAALAD2
SCHEMBL938992 0.81 DPP4 (0.47) NOD1DPP8DPP4DPP9GABRP
SCHEMBL6161987 0.78 NPY4R (0.41) NOD1FOLH1
SCHEMBL6157591 0.78 NPY4R (0.41) NOD1FOLH1
SCHEMBL9273038 0.77 DPP4 (0.48) BMP1DPP8DPP4DPP9NAALAD2
SCHEMBL28727840 0.76 FOLH1 (0.56) NOD1BMP1DPP8DPP4DPP9
SCHEMBL28727831 0.76 FOLH1 (0.56) NOD1BMP1DPP8DPP4DPP9

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