SCHEMBL10501294

SCHEMBL10501294

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ SLC6A3 Q01959 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ PLA2G2C Q5R387 2/20 0.36
▸ ANPEP P15144 1/20 0.36
▸ ENPEP Q07075 1/20 0.36
▸ PLA2G10 O15496 1/20 0.34
▸ GABRP O00591 2/20 0.33
▸ GABRD O14764 2/20 0.33
▸ GABRA1 P14867 2/20 0.33
▸ GABRB1 P18505 2/20 0.33
▸ GABRG2 P18507 2/20 0.33
▸ GABRB3 P28472 2/20 0.33

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
SCHEMBL10606210 1.00 SLC6A2 (0.38) SLC6A2SLC6A4BLMSLC6A3MEN1
SCHEMBL4940083 0.84 ANPEP (0.42) TSHRPLA2G2CANPEPENPEPPLA2G10
SCHEMBL4944211 0.84 ANPEP (0.42) TSHRPLA2G2CANPEPENPEPPLA2G10
SCHEMBL4941282 0.78 GABRP (0.44) TSHRANPEPENPEPGABRPGABRD
SCHEMBL4940114 0.78 GABRP (0.44) TSHRANPEPENPEPGABRPGABRD
SCHEMBL4943954 0.78 GABRP (0.44) TSHRANPEPENPEPGABRPGABRD
SCHEMBL5038855 0.77 PLA2G2C (0.52) MEN1TSHRKMT2APLA2G2CPLA2G10
SCHEMBL5037774 0.77 ALDH1A1 (0.37) PLA2G2CANPEPENPEPPLA2G10GABRP
SCHEMBL16628204 0.76 SLC6A2 (0.40) SLC6A2SLC6A4BLMSLC6A3MEN1
SCHEMBL27534582 0.69 CA1 (0.39) BLMTSHRCA12CA1CA9

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-0162036-B1 (S)-ALPHA-ETHYL-2-OXO-1-PYRROLIDINACETAMIDE U C B, S.A. (BE) 1989-08-16 — — EP claimed
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