SCHEMBL30416888

SCHEMBL30416888

C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 1/20 0.42
▸ MAPK9 P45984 1/20 0.42
▸ MAPK10 P53779 1/20 0.42
▸ NPY5R Q15761 3/20 0.40
▸ NPY1R P25929 2/20 0.40
▸ NPY4R P50391 2/20 0.40
▸ PRCP P42785 2/20 0.40
▸ DPP7 Q9UHL4 1/20 0.39
▸ F2 P00734 5/20 0.37
▸ MASP2 O00187 3/20 0.37
▸ CALCRL Q16602 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ NRP1 O14786 1/20 0.36

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
SCHEMBL31019315 0.96 PRCP (0.41) MAPK8MAPK9MAPK10NPY5RNPY1R
SCHEMBL29531712 0.95 PRCP (0.42) MAPK8MAPK9MAPK10NPY5RNPY1R
SCHEMBL29496505 0.93 PRCP (0.42) MAPK8MAPK9MAPK10NPY5RNPY1R
SCHEMBL29663559 0.92 MAPK8 (0.46) MAPK8MAPK9MAPK10NPY5RNPY1R
SCHEMBL29980620 0.90 PRCP (0.39) MAPK8MAPK9MAPK10NPY5RNPY1R
SCHEMBL29687469 0.89 MAPK8 (0.48) MAPK8MAPK9MAPK10NPY5RNPY1R
SCHEMBL30693076 0.89 MAPK8 (0.48) MAPK8MAPK9MAPK10NPY5RNPY1R
SCHEMBL31480031 0.88 MAPK8 (0.49) MAPK8MAPK9MAPK10NPY5RNPY1R
SCHEMBL29496543 0.88 MEN1 (0.44) MAPK8MAPK9MAPK10PRCPDPP7
SCHEMBL6520003 0.88 MAPK8 (0.45) MAPK8MAPK9MAPK10NPY5RNPY1R

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-112159461-B Synthesis method of cetrorelix 开封明仁药业有限公司 2023-03-10 — — CN disclosed
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