SCHEMBL30808434

SCHEMBL30808434

NCCCC[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.60
▸ UTS2R Q9UKP6 1/20 0.59
▸ GHSR Q92847 1/20 0.57
▸ ECE1 P42892 7/20 0.56

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
SCHEMBL3384748 0.93 GHSR (0.62) ACEUTS2RGHSR
SCHEMBL29578372 0.93 GHSR (0.62) ACEUTS2RGHSR
SCHEMBL27702662 0.93 GHSR (0.62) ACEUTS2RGHSR
SCHEMBL30866234 0.92 GHSR (0.61) ACEUTS2RGHSR
SCHEMBL30772333 0.92 GHSR (0.61) ACEUTS2RGHSR
SCHEMBL31468802 0.92 GHSR (0.61) ACEUTS2RGHSR
SCHEMBL31593305 0.92 GHSR (0.61) ACEUTS2RGHSR
SCHEMBL31593388 0.92 GHSR (0.61) ACEUTS2RGHSR
SCHEMBL31468793 0.92 GHSR (0.61) ACEUTS2RGHSR
SCHEMBL27204558 0.92 GHSR (0.61) ACEUTS2RGHSR

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-117720626-A Preparation method and application of two-pair diselenide modified horseshoe crab element Tachyplesin I derivative TPI-Se 上海中医药大学 2024-03-19 — — CN disclosed
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