SCHEMBL23871403

SCHEMBL23871403

CC(NC(=O)CNC=O)C(=O)NCC(=O)N1CCCC1C(=O)NCC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FAP Q12884 7/20 0.42
▸ PREP P48147 6/20 0.42
▸ DPP4 P27487 4/20 0.42
▸ ACE P12821 2/20 0.38
▸ XIAP P98170 1/20 0.35
▸ MLX Q9UH92 1/20 0.35
▸ CALCRL Q16602 3/20 0.35
▸ KMT2A Q03164 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ CHRM2 P08172 1/20 0.34
▸ CHRM4 P08173 1/20 0.34
▸ CHRM5 P08912 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ CHRM3 P20309 1/20 0.34
▸ RAMP1 O60894 1/20 0.33
▸ APLNR P35414 1/20 0.33

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
SCHEMBL22019478 0.87 FAP (0.41) FAPPREPDPP4ACEXIAP
SCHEMBL30558187 0.86 FAP (0.42) FAPPREPDPP4ACEXIAP
SCHEMBL30558194 0.86 FAP (0.40) FAPPREPDPP4ACEXIAP
SCHEMBL30558197 0.82 PREP (0.38) FAPPREPDPP4ACECALCRL
SCHEMBL29308708 0.82 PREP (0.37) FAPPREPDPP4ACECALCRL
SCHEMBL26391683 0.81 PREP (0.59) FAPPREPDPP4ACE
SCHEMBL30951791 0.80 CALCRL (0.42) FAPPREPDPP4ACEXIAP
SCHEMBL31564810 0.80 FAP (0.44) FAPPREPDPP4ACEXIAP
SCHEMBL22019176 0.79 APLNR (0.33) FAPPREPDPP4CALCRLKMT2A
SCHEMBL29565573 0.78 ACE (0.42) FAPPREPDPP4ACEXIAP

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-2021191689-A2 TREATMENT OF INFLAMMATORY DISEASES WITH PEPTIDES AND PHARMACEUTICAL COMPOSITIONS YUYU PHARMA, INC. (KR) 2021-09-30 — — WO disclosed
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