SCHEMBL10378610

SCHEMBL10378610

CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)C(N)=O)C(C)C.CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(=N)N)C(=O)C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EPHA2 P29317 3/20 0.49
▸ OPRM1 P35372 6/20 0.43
▸ OPRK1 P41145 6/20 0.43
▸ CALCRL Q16602 3/20 0.42
▸ KDM1A O60341 3/20 0.41
▸ NTSR2 O95665 1/20 0.41
▸ NTSR1 P30989 1/20 0.41
▸ SORT1 Q99523 1/20 0.41
▸ CXCR4 P61073 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ KDM5A P29375 1/20 0.41
▸ KDM1B Q8NB78 1/20 0.41
▸ TFPI P10646 2/20 0.40

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
SCHEMBL10435105 0.96 EPHA2 (0.51) EPHA2OPRM1OPRK1CALCRLKDM1A
SCHEMBL10378950 0.95 EPHA2 (0.48) EPHA2OPRM1OPRK1CALCRLKDM1A
SCHEMBL10377176 0.89 EPHA2 (0.49) EPHA2OPRM1OPRK1CALCRLKDM1A
SCHEMBL8969918 0.89 EPHA2 (0.49) EPHA2OPRM1CALCRLKDM1ANTSR2
SCHEMBL10378224 0.89 EPHA2 (0.48) EPHA2CALCRLKDM1ANTSR2NTSR1
SCHEMBL7789924 0.88 OPRM1 (0.48) EPHA2OPRM1OPRK1CXCR4
SCHEMBL8970642 0.87 EPHA2 (0.47) EPHA2CALCRLKDM1ANTSR2NTSR1
SCHEMBL7786086 0.87 OPRM1 (0.45) EPHA2OPRM1OPRK1CXCR4
SCHEMBL10434942 0.85 OPRM1 (0.46) EPHA2OPRM1OPRK1KDM1ATFPI
SCHEMBL7785514 0.84 EPHA2 (0.46) EPHA2OPRM1OPRK1KDM1ACXCR4

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-1990003180-A1 PEPTIDES HAVING T CELL SUPPRESSOR ACTIVITY IMMUNOBIOLOGY RESEARCH INSTITUTE, INC. (US) 1990-04-05 — — WO disclosed
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