SCHEMBL29360302

SCHEMBL29360302

CC(N)C(=O)NCCC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 4/20 0.58
GABRP O00591 2/20 0.46
GABRD O14764 2/20 0.46
GABRA1 P14867 2/20 0.46
GABRB1 P18505 2/20 0.46
GABRG2 P18507 2/20 0.46
GABRB3 P28472 2/20 0.46
GABRA5 P31644 2/20 0.46
GABRA3 P34903 2/20 0.46
GABRA2 P47869 2/20 0.46
GABRB2 P47870 2/20 0.46
GABRA4 P48169 2/20 0.46
GABRE P78334 2/20 0.46
GABRA6 Q16445 2/20 0.46
GABRG1 Q8N1C3 2/20 0.46
GABRG3 Q99928 2/20 0.46
GABRQ Q9UN88 2/20 0.46
TERT O14746 1/20 0.45
DPP4 P27487 1/20 0.41
DPP8 Q6V1X1 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
SCHEMBL7290633 1.00 ECE1 (0.58) ECE1GABRPGABRDGABRA1GABRB1
SCHEMBL7290638 1.00 ECE1 (0.58) ECE1GABRPGABRDGABRA1GABRB1
SCHEMBL8389957 0.88 ADRA1A (0.47) ECE1GABRPGABRDGABRA1GABRB1
SCHEMBL27765049 0.88 ADRA1A (0.47) ECE1GABRPGABRDGABRA1GABRB1
SCHEMBL22987357 0.87 ECE1 (0.50) ECE1GABRPGABRDGABRA1GABRB1
SCHEMBL8388348 0.86 ADRA1A (0.55) ECE1PLA2G2A
SCHEMBL8390709 0.84 ADRA1A (0.58) PLA2G2A
SCHEMBL9140084 0.84 USP2 (0.50) ECE1TERTDPP4DPP8ANPEP
SCHEMBL9140089 0.84 USP2 (0.50) ECE1TERTDPP4DPP8ANPEP
SCHEMBL7400813 0.83 ECE1 (0.59) ECE1GABRPGABRDGABRA1GABRB1

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
WO-2025085580-A1 KRAS(G12D) INHIBITORS WINDERMERE THERAPEUTICS, INC. (US) 2025-04-24 WO disclosed
EP-3941527-A1 METHODS OF PREPARING CELL-BINDING AGENT-DRUG CONJUGATES ImmunoGen, Inc. (US) 2022-01-26 EP disclosed