SCHEMBL29679789

SCHEMBL29679789

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 4/20 0.48
▸ NPY4R P50391 4/20 0.48
▸ NPY1R P25929 3/20 0.48
▸ NPY2R P49146 3/20 0.48
▸ DPP4 P27487 1/20 0.46
▸ DPP8 Q6V1X1 1/20 0.46
▸ DPP9 Q86TI2 1/20 0.46
▸ ERAP2 Q6P179 1/20 0.44
▸ ERAP1 Q9NZ08 1/20 0.44
▸ LNPEP Q9UIQ6 1/20 0.44
▸ NMT2 O60551 1/20 0.43
▸ NMT1 P30419 1/20 0.43
▸ CPB2 Q96IY4 3/20 0.42
▸ OPRK1 P41145 1/20 0.42
▸ NPY5R Q15761 2/20 0.41
▸ CTSD P07339 1/20 0.41
▸ BACE1 P56817 1/20 0.41
▸ NTSR2 O95665 1/20 0.41
▸ NTSR1 P30989 1/20 0.41
▸ FURIN P09958 1/20 0.41

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
SCHEMBL30286850 0.95 FOLH1 (0.51) FOLH1NPY4RNPY1RNPY2RCTSD
SCHEMBL31094979 0.95 NPY4R (0.48) FOLH1NPY4RNPY1RNPY2RDPP4
SCHEMBL30388451 0.93 NPY4R (0.51) FOLH1NPY4RNPY1RNPY2RERAP2
SCHEMBL31343260 0.93 NPY4R (0.51) FOLH1NPY4RNPY1RNPY2RERAP2
SCHEMBL29679678 0.92 FOLH1 (0.53) FOLH1NPY4RNPY1RNPY2RCTSD
SCHEMBL29679867 0.92 FOLH1 (0.53) FOLH1NPY4RNPY1RNPY2RCTSD
SCHEMBL29679551 0.92 NMT2 (0.46) FOLH1NPY4RNPY1RNPY2RERAP2
SCHEMBL30974028 0.91 FOLH1 (0.53) FOLH1NPY4RNPY1RNPY2RDPP4
SCHEMBL29682467 0.91 NPY4R (0.52) FOLH1NPY4RNPY1RNPY2RDPP8
SCHEMBL29630544 0.91 NMT2 (0.47) FOLH1NPY4RNPY1RNPY2RDPP4

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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