SCHEMBL31049830

SCHEMBL31049830

CCCCCC[C@](N)(CS)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)O)[C@@H](C)O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NMUR2 Q9GZQ4 5/20 0.39
▸ NMUR1 Q9HB89 5/20 0.39
▸ MAPK8 P45983 1/20 0.39
▸ MAPK9 P45984 1/20 0.39
▸ MAPK10 P53779 1/20 0.39
▸ NTMT1 Q9BV86 1/20 0.39
▸ IL23R Q5VWK5 1/20 0.39
▸ CAPN1 P07384 2/20 0.39
▸ CTSB P07858 2/20 0.39
▸ CCKBR P32239 2/20 0.39
▸ SLC6A2 P23975 1/20 0.38
▸ APLNR P35414 2/20 0.37
▸ OPRD1 P41143 4/20 0.37
▸ STAT3 P40763 1/20 0.37
▸ OPRM1 P35372 1/20 0.37

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
SCHEMBL31049847 0.98 MAPK8 (0.41) NMUR2NMUR1MAPK8MAPK9MAPK10
SCHEMBL31049833 0.92 SLC6A2 (0.45) NMUR2NMUR1MAPK8MAPK9MAPK10
SCHEMBL31049839 0.91 MAPK8 (0.38) NMUR2NMUR1MAPK8MAPK9MAPK10
SCHEMBL30856561 0.89 MAPK8 (0.46) NMUR2NMUR1MAPK8MAPK9MAPK10
SCHEMBL31049846 0.88 GRB2 (0.39) NMUR2NMUR1MAPK8MAPK9MAPK10
SCHEMBL31049845 0.87 MAPK8 (0.45) NMUR2NMUR1MAPK8MAPK9MAPK10
SCHEMBL31049844 0.87 MAPK8 (0.48) NMUR2NMUR1MAPK8MAPK9MAPK10
SCHEMBL31049832 0.84 OPRK1 (0.39) NMUR2NMUR1MAPK8MAPK9MAPK10
SCHEMBL31049836 0.83 IL23R (0.43) NMUR2NMUR1MAPK8MAPK9MAPK10
SCHEMBL31049843 0.79 MAPK8 (0.43) NMUR2NMUR1MAPK8MAPK9MAPK10

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-2024165072-A1 POLYPEPTIDE COMPOUND AND USE THEREOF 成都纽瑞特医疗科技股份有限公司 2024-08-15 — — WO disclosed
Send feedback