SCHEMBL29679733

SCHEMBL29679733

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

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 9/20 0.54
▸ TFPI P10646 1/20 0.52
▸ CTSD P07339 3/20 0.52
▸ VIPR2 P41587 3/20 0.49
▸ VIPR1 P32241 3/20 0.49
▸ RXFP1 Q9HBX9 1/20 0.48
▸ NPY4R P50391 3/20 0.48
▸ NPY1R P25929 2/20 0.48
▸ NPY2R P49146 2/20 0.48
▸ NPY5R Q15761 2/20 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
SCHEMBL38659416 0.98 BACE1 (0.54) BACE1TFPICTSDVIPR2VIPR1
SCHEMBL38660457 0.97 BACE1 (0.52) BACE1TFPICTSDVIPR2VIPR1
SCHEMBL29876116 0.93 RXFP1 (0.54) BACE1TFPIVIPR2VIPR1RXFP1
SCHEMBL31031482 0.92 NPY4R (0.51) BACE1TFPICTSDNPY4RNPY1R
SCHEMBL29435830 0.92 TFPI (0.56) BACE1TFPICTSDVIPR2RXFP1
SCHEMBL30262197 0.92 VIPR2 (0.54) BACE1TFPICTSDVIPR2VIPR1
SCHEMBL30512684 0.91 BACE1 (0.51) BACE1TFPICTSDVIPR2VIPR1
SCHEMBL29518464 0.91 VIPR2 (0.54) BACE1TFPIVIPR2VIPR1RXFP1
SCHEMBL30130347 0.91 BACE1 (0.52) BACE1TFPICTSDVIPR2VIPR1
SCHEMBL31693537 0.91 NPY4R (0.50) BACE1TFPICTSDVIPR2VIPR1

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
WO-2022069704-A2 IMMUNODIAGNOSTIC AGENTS AND METHODS FOR THE DETECTION AND DIFFERENTIATION OF CORONAVIRUS INFECTIONS INSTITUT FÜR MOLEKULARE DIAGNOSTIK UND BIOANALYTIK (IMDB) GGMBH (DE) 2022-04-07 — — WO disclosed
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