SCHEMBL5037774

SCHEMBL5037774

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.37
▸ PLA2G10 O15496 2/20 0.37
▸ PLA2G2C Q5R387 2/20 0.36
▸ ANPEP P15144 2/20 0.36
▸ ENPEP Q07075 2/20 0.36
▸ CA1 P00915 2/20 0.34
▸ CA12 O43570 1/20 0.34
▸ CA9 Q16790 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
▸ GABRA5 P31644 2/20 0.33
▸ GABRA3 P34903 2/20 0.33
▸ GABRA2 P47869 2/20 0.33
▸ GABRB2 P47870 2/20 0.33
▸ GABRA4 P48169 2/20 0.33
▸ GABRE P78334 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
SCHEMBL4944211 0.84 ANPEP (0.42) PLA2G10PLA2G2CANPEPENPEPCA1
SCHEMBL4940083 0.84 ANPEP (0.42) PLA2G10PLA2G2CANPEPENPEPCA1
SCHEMBL5038855 0.79 PLA2G2C (0.52) ALDH1A1PLA2G10PLA2G2C
SCHEMBL10501294 0.77 SLC6A2 (0.38) ALDH1A1PLA2G10PLA2G2CANPEPENPEP
SCHEMBL10606210 0.77 SLC6A2 (0.38) ALDH1A1PLA2G10PLA2G2CANPEPENPEP
SCHEMBL4941282 0.74 GABRP (0.44) ANPEPENPEPCA1CA12CA9
SCHEMBL4943954 0.74 GABRP (0.44) ANPEPENPEPCA1CA12CA9
SCHEMBL4940114 0.74 GABRP (0.44) ANPEPENPEPCA1CA12CA9
SCHEMBL27534582 0.69 CA1 (0.39) CA1CA12CA9CA2
SCHEMBL14230379 0.68 CA1 (0.44) PLA2G2CCA1CA2

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-1339669-B1 N-ALKYLATED GABA COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS UCB PHARMA SA (BE) 2008-06-04 — — EP disclosed
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