SCHEMBL22018360

SCHEMBL22018360

CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NMUR2 Q9GZQ4 9/20 0.50
▸ NMUR1 Q9HB89 8/20 0.50
▸ NTSR1 P30989 3/20 0.48
▸ OPRM1 P35372 1/20 0.48
▸ OPRD1 P41143 1/20 0.48
▸ RAMP3 O60896 1/20 0.48
▸ CALCR P30988 1/20 0.48
▸ MAPK8 P45983 1/20 0.47
▸ MAPK9 P45984 1/20 0.47
▸ MAPK10 P53779 1/20 0.47
▸ KDM1A O60341 1/20 0.46
▸ F2 P00734 2/20 0.46
▸ NTSR2 O95665 1/20 0.46

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
SCHEMBL22018382 0.91 NMUR2 (0.49) NMUR2NMUR1NTSR1OPRM1OPRD1
SCHEMBL30933090 0.91 NMUR2 (0.53) NMUR2NMUR1NTSR1OPRM1OPRD1
SCHEMBL22380738 0.90 NMUR2 (0.47) NMUR2NMUR1NTSR1OPRM1OPRD1
SCHEMBL22018348 0.87 APLNR (0.49) RAMP3CALCRMAPK8MAPK9MAPK10
SCHEMBL22019459 0.87 APLNR (0.49) RAMP3CALCRMAPK8MAPK9MAPK10
SCHEMBL22922808 0.87 APLNR (0.49) RAMP3CALCRMAPK8MAPK9MAPK10
SCHEMBL22380731 0.87 KDM1A (0.53) NMUR2OPRD1MAPK8MAPK9MAPK10
SCHEMBL25524967 0.87 NMUR2 (0.46) NMUR2NMUR1NTSR1OPRM1OPRD1
SCHEMBL22018503 0.86 NTSR1 (0.51) NMUR2NMUR1NTSR1OPRM1OPRD1
SCHEMBL30933140 0.86 OPRD1 (0.55) NMUR2NMUR1NTSR1OPRM1OPRD1

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-2020099925-A2 PEPTIDES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING EYE DISEASES YUYU PHARMA, INC. (KR) 2020-05-22 — — WO disclosed
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