SCHEMBL30996221

SCHEMBL30996221

CC[C@H](C)[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(C)C)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NPY2R P49146 8/20 0.53
▸ NPY4R P50391 8/20 0.53
▸ NPY5R Q15761 8/20 0.53
▸ NPY1R P25929 6/20 0.53
▸ EPHA2 P29317 3/20 0.50
▸ MAPK8 P45983 1/20 0.46
▸ MAPK9 P45984 1/20 0.46
▸ MAPK10 P53779 1/20 0.46
▸ RAMP3 O60896 6/20 0.45
▸ CALCR P30988 6/20 0.45
▸ CALCRL Q16602 1/20 0.44

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
SCHEMBL29508191 0.98 NPY2R (0.52) NPY2RNPY4RNPY5RNPY1REPHA2
SCHEMBL29679071 0.91 NPY2R (0.49) NPY2RNPY4RNPY5RNPY1REPHA2
SCHEMBL29679064 0.91 NPY2R (0.49) NPY2RNPY4RNPY5RNPY1REPHA2
SCHEMBL29659402 0.89 EPHA2 (0.48) NPY2RNPY4RNPY5RNPY1REPHA2
SCHEMBL29743133 0.89 EPHA2 (0.48) NPY2RNPY4RNPY5RNPY1REPHA2
SCHEMBL29743132 0.87 EPHA2 (0.50) NPY2RNPY4RNPY5RNPY1REPHA2
SCHEMBL30988896 0.85 EPHA2 (0.48) EPHA2MAPK8MAPK9MAPK10RAMP3
SCHEMBL29743135 0.84 EPHA2 (0.46) NPY2RNPY4RNPY5RNPY1REPHA2
SCHEMBL30253521 0.84 NPY2R (0.44) NPY2RNPY4RNPY5RNPY1RCALCRL
SCHEMBL31214775 0.84 NPY2R (0.46) NPY2RNPY4RNPY5RNPY1REPHA2

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-113607869-B Method for detecting residual solvent in An Tian gefitin by utilizing gas chromatography and application 北京赛升药业股份有限公司 2024-06-11 — — CN disclosed
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