SCHEMBL31038687

SCHEMBL31038687

CSCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CO)C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 4/20 0.57
▸ GLP1R P43220 1/20 0.56
▸ GCGR P47871 1/20 0.56
▸ GIPR P48546 1/20 0.56
▸ PTH1R Q03431 4/20 0.53
▸ TFPI P10646 1/20 0.53
▸ VIPR1 P32241 3/20 0.52
▸ VIPR2 P41587 4/20 0.51

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
SCHEMBL30804674 0.92 BACE1 (0.58) BACE1GLP1RGCGRGIPRVIPR1
SCHEMBL32670624 0.89 BACE1 (0.61) BACE1GLP1RGCGRGIPRPTH1R
SCHEMBL30384921 0.89 BACE1 (0.56) BACE1TFPI
SCHEMBL30431350 0.88 OPRL1 (0.59) GLP1RGCGRGIPRPTH1RTFPI
SCHEMBL30176500 0.88 VIPR1 (0.64) BACE1GLP1RGCGRGIPRPTH1R
SCHEMBL30431840 0.88 BACE1 (0.66) BACE1GLP1RGCGRGIPRPTH1R
SCHEMBL29686720 0.87 BACE1 (0.69) BACE1GLP1RGCGRGIPRPTH1R
SCHEMBL30429998 0.87 BACE1 (0.52) BACE1GLP1RGCGRGIPRTFPI
SCHEMBL31182595 0.86 GLP1R (0.68) GLP1RGCGRGIPRTFPIVIPR1
SCHEMBL31672198 0.86 BACE1 (0.62) BACE1GLP1RGCGRGIPRTFPI

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
US-12060591-B2 Tau protease compositions and methods of use OLIGOMERIX, INC. (US) 2024-08-13 — — US disclosed
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