SCHEMBL11264534

SCHEMBL11264534

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CPB2 Q96IY4 6/20 0.45
▸ GSR P00390 1/20 0.43
▸ RNPEP Q9H4A4 1/20 0.42
▸ GABRR1 P24046 3/20 0.37
▸ LMNA P02545 3/20 0.36
▸ TSHR P16473 2/20 0.36
▸ THRB P10828 2/20 0.36
▸ BLM P54132 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ GABRR3 A8MPY1 1/20 0.36
▸ GABRP O00591 1/20 0.36
▸ GABRD O14764 1/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ GABBR2 O75899 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ GABRA1 P14867 1/20 0.36
▸ GABRB1 P18505 1/20 0.36
▸ GABRG2 P18507 1/20 0.36
▸ GABRB3 P28472 1/20 0.36

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
SCHEMBL23935444 0.94 GSR (0.52) CPB2GSRRNPEPGABRR1LMNA
SCHEMBL27696261 0.94 GSR (0.52) CPB2GSRRNPEPGABRR1LMNA
SCHEMBL24543166 0.89 — —
SCHEMBL1800538 0.78 CA2 (0.48) HDAC1HDAC2MAPTSLC6A3
SCHEMBL1800540 0.78 CA2 (0.48) HDAC1HDAC2MAPTSLC6A3
SCHEMBL15450729 0.77 CPB2 (0.44) CPB2GSRRNPEPGABRR1LMNA
SCHEMBL28477850 0.75 CPB2 (0.42) CPB2GSRRNPEPGABRR1LMNA
SCHEMBL27501941 0.75 CPB2 (0.42) CPB2GSRRNPEPGABRR1LMNA
SCHEMBL14754651 0.75 GSR (0.41) CPB2GSRRNPEPLMNATHRB
SCHEMBL14308071 0.75 — —

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
CN-118317761-A Hair conditioning composition 宝洁公司 2024-07-09 — — CN disclosed
EP-0046710-A1 Preparation of aminoacetonitrile derivatives MERRELL TORAUDE ET COMPAGNIE (FR) 1982-03-03 — — EP disclosed
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