SCHEMBL28391622

SCHEMBL28391622

CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]([C]=O)CC(C)C)C(C)C

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ F13A1 P00488 2/20 0.54
▸ TGM2 P21980 2/20 0.54
▸ REN P00797 11/20 0.52
▸ CAPN1 P07384 2/20 0.49
▸ CTSB P07858 2/20 0.49
▸ DPP3 Q9NY33 4/20 0.48

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
SCHEMBL30179700 0.83 REN (0.62) F13A1TGM2RENDPP3
SCHEMBL2193319 0.83 GHSR (0.52) F13A1TGM2RENCAPN1CTSB
SCHEMBL30051497 0.78 GHSR (0.62) —
SCHEMBL30093405 0.77 F13A1 (0.58) F13A1TGM2RENCAPN1CTSB
SCHEMBL30223334 0.77 GHSR (0.57) —
SCHEMBL30052014 0.77 KMT2A (0.58) —
SCHEMBL1027785 0.76 CAPN1 (0.53) F13A1TGM2RENCAPN1CTSB
SCHEMBL30511908 0.76 GHSR (0.56) F13A1TGM2CAPN1CTSBDPP3
SCHEMBL31606515 0.76 GHSR (0.66) —
SCHEMBL30051294 0.76 GHSR (0.65) —

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
CN-107827956-B Synthesis method of active cyclic octapeptide reniohalistatin E and analogues thereof 暨南大学 2020-05-08 — — CN claimed
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