SCHEMBL22018355

SCHEMBL22018355

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

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 1/20 0.50
▸ MAPK9 P45984 1/20 0.50
▸ MAPK10 P53779 1/20 0.50
▸ KEAP1 Q14145 1/20 0.48
▸ NPY2R P49146 7/20 0.48
▸ NPY4R P50391 7/20 0.48
▸ NPY5R Q15761 7/20 0.48
▸ NPY1R P25929 5/20 0.48
▸ KDM1A O60341 2/20 0.48
▸ RAMP3 O60896 7/20 0.47
▸ CALCR P30988 7/20 0.47
▸ HCRTR1 O43613 1/20 0.46
▸ HCRTR2 O43614 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
SCHEMBL22018348 0.93 APLNR (0.49) MAPK8MAPK9MAPK10KDM1ARAMP3
SCHEMBL22922808 0.93 APLNR (0.49) MAPK8MAPK9MAPK10KDM1ARAMP3
SCHEMBL22019459 0.93 APLNR (0.49) MAPK8MAPK9MAPK10KDM1ARAMP3
SCHEMBL22019191 0.92 NPY2R (0.46) NPY2RNPY4RNPY5RNPY1RRAMP3
SCHEMBL22922809 0.92 NPY2R (0.46) NPY2RNPY4RNPY5RNPY1RRAMP3
SCHEMBL30933117 0.91 APLNR (0.47) NPY2RNPY4RNPY5RNPY1RRAMP3
SCHEMBL22380787 0.91 APLNR (0.47) MAPK8MAPK9MAPK10KDM1ARAMP3
SCHEMBL22019186 0.90 APLNR (0.47) MAPK8MAPK9MAPK10KDM1ARAMP3
SCHEMBL22380731 0.90 KDM1A (0.53) MAPK8MAPK9MAPK10KEAP1KDM1A
SCHEMBL22018329 0.88 NPY2R (0.47) NPY2RNPY4RNPY5RNPY1RKDM1A

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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