SCHEMBL10709782

SCHEMBL10709782

NCCCC[C@H](NC1NCCN1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 1/20 0.46
▸ GSR P00390 1/20 0.42
▸ CPB2 Q96IY4 12/20 0.41
▸ RNPEP Q9H4A4 1/20 0.41
▸ SLC6A5 Q9Y345 1/20 0.40
▸ ACE P12821 1/20 0.39
▸ MMP2 P08253 1/20 0.39
▸ MMP9 P14780 1/20 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
SCHEMBL29635068 0.78 FOLH1 (0.50) FOLH1GSRCPB2RNPEPACE
SCHEMBL9181564 0.75 CPB2 (0.55) FOLH1GSRCPB2
SCHEMBL9181567 0.75 CPB2 (0.55) FOLH1GSRCPB2
SCHEMBL5736086 0.74 CPB2 (0.57) FOLH1CPB2
SCHEMBL31555916 0.73 FOLH1 (0.56) FOLH1GSRCPB2RNPEPSLC6A5
SCHEMBL29894486 0.73 FOLH1 (0.59) FOLH1GSRCPB2RNPEPSLC6A5
SCHEMBL29390540 0.73 FOLH1 (0.59) FOLH1GSRCPB2RNPEPSLC6A5
SCHEMBL10611606 0.73 FOLH1 (0.44) FOLH1GSRCPB2RNPEPACE
SCHEMBL10611602 0.73 FOLH1 (0.44) FOLH1GSRCPB2RNPEPACE
SCHEMBL1054672 0.71 FOLH1 (0.58) FOLH1GSRCPB2RNPEPSLC6A5

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
EP-0097031-B1 NONAPEPTIDE AND DECAPEPTIDE ANALOGS OF LHRH USEFUL AS LHRH ANTAGONISTS, THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM SYNTEX (U.S.A.) INC. (US) 1988-09-21 — — EP disclosed
EP-0097031-A2 Nonapeptide and decapeptide analogs of LHRH useful as LHRH antagonists, their preparation and compositions containing them SYNTEX (U.S.A.) INC. (US) 1983-12-28 — — EP disclosed
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