SCHEMBL29697664

SCHEMBL29697664

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 4/20 0.35
▸ DPP9 Q86TI2 1/20 0.33
▸ GABRP O00591 2/20 0.31
▸ GABRD O14764 2/20 0.31
▸ GABRA1 P14867 2/20 0.31
▸ GABRB1 P18505 2/20 0.31
▸ GABRG2 P18507 2/20 0.31
▸ GABRB3 P28472 2/20 0.31
▸ GABRA5 P31644 2/20 0.31
▸ GABRA3 P34903 2/20 0.31
▸ GABRA2 P47869 2/20 0.31
▸ GABRB2 P47870 2/20 0.31
▸ GABRA4 P48169 2/20 0.31
▸ GABRE P78334 2/20 0.31
▸ GABRA6 Q16445 2/20 0.31
▸ GABRG1 Q8N1C3 2/20 0.31
▸ GABRG3 Q99928 2/20 0.31
▸ GABRQ Q9UN88 2/20 0.31
▸ BHMT Q93088 1/20 0.31
▸ ARG1 P05089 1/20 0.30

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
SCHEMBL10908256 0.85 GABRP (0.38) DPP4DPP9GABRPGABRDGABRA1
Hydrochloric Acid SCHEMBL11341606 0.83 DPP4 (0.37) DPP4DPP9GABRPGABRDGABRA1
SCHEMBL3338673 0.77 DPP4 (0.56) DPP4DPP9GABRPGABRDGABRA1
SCHEMBL30522084 0.77 DPP4 (0.56) DPP4DPP9GABRPGABRDGABRA1
SCHEMBL22099885 0.76 MVD (0.33) —
SCHEMBL13981419 0.72 DPP4 (0.40) DPP4
SCHEMBL31688025 0.72 DPP4 (0.42) DPP4DPP9GABRPGABRDGABRA1
SCHEMBL21570251 0.72 DPP4 (0.58) DPP4DPP9GABRPGABRDGABRA1
Hydrochloric Acid SCHEMBL3750493 0.70 DPP4 (0.41) DPP4DPP9GABRPGABRDGABRA1
SCHEMBL11459947 0.70 SLC7A5 (0.52) DPP4DPP9GABRPGABRDGABRA1

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
WO-2022138891-A1 METHOD FOR PRODUCING PEPTIDE COMPOUND CONTAINING N-SUBSTITUTED-AMINO ACID RESIDUE 中外製薬株式会社 2022-06-30 — — WO disclosed
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