SCHEMBL25745387

SCHEMBL25745387

CC(C)CC(=O)NC(CCC(=O)O)C(O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 1/20 0.41
▸ CTSD P07339 1/20 0.41
▸ BACE1 P56817 1/20 0.41
▸ FOLH1 Q04609 4/20 0.40
▸ GABRP O00591 2/20 0.39
▸ GABRD O14764 2/20 0.39
▸ GABRA1 P14867 2/20 0.39
▸ GABRB1 P18505 2/20 0.39
▸ GABRG2 P18507 2/20 0.39
▸ GABRB3 P28472 2/20 0.39
▸ GABRA5 P31644 2/20 0.39
▸ GABRA3 P34903 2/20 0.39
▸ GABRA2 P47869 2/20 0.39
▸ GABRB2 P47870 2/20 0.39
▸ GABRA4 P48169 2/20 0.39
▸ GABRE P78334 2/20 0.39
▸ GABRA6 Q16445 2/20 0.39
▸ GABRG1 Q8N1C3 2/20 0.39
▸ GABRG3 Q99928 2/20 0.39
▸ GABRQ Q9UN88 2/20 0.39

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
SCHEMBL25946547 0.85 REN (0.39) RENCTSDBACE1FOLH1GABRP
SCHEMBL15846434 0.76 FOLH1 (0.62) FOLH1RIMKLANAALAD2
SCHEMBL15846435 0.76 FOLH1 (0.62) FOLH1RIMKLANAALAD2
SCHEMBL25745409 0.76 FOLH1 (0.44) FOLH1GABRPGABRDGABRA1GABRB1
SCHEMBL14628587 0.74 TSHR (0.41) FOLH1GABRPGABRDGABRA1GABRB1
SCHEMBL21150988 0.74 FOLH1 (0.47) FOLH1GABRPGABRDGABRA1GABRB1
SCHEMBL17948386 0.74 FOLH1 (0.46) FOLH1GABRPGABRDGABRA1GABRB1
SCHEMBL9830238 0.73 ADAMTS4 (0.37) CTSD
SCHEMBL18756332 0.73 GABRP (0.45) FOLH1GABRPGABRDGABRA1GABRB1
SCHEMBL25946467 0.72 BMP1 (0.60) RENCTSDBACE1FOLH1RIMKLA

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
EP-3781554-B1 2,6-DIAMINO-3,4-DIHYDROPYRIMIDIN-4-ONE DERIVATIVES AND USE THEREOF IN THERAPY THOMAS HELLEDAYS STIFTELSE FOER MEDICINSK FORSKNING (SE) 2023-06-28 — — EP disclosed
Send feedback