SCHEMBL9807245

SCHEMBL9807245

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)N[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ EPHA2 P29317 2/20 0.61
▸ NTSR2 O95665 14/20 0.59
▸ NTSR1 P30989 14/20 0.59
▸ SORT1 Q99523 14/20 0.59
▸ SLC6A2 P23975 1/20 0.55
▸ REN P00797 2/20 0.54
▸ AGTR1 P30556 1/20 0.54
▸ AGTR2 P50052 1/20 0.54

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
SCHEMBL9807256 0.96 EPHA2 (0.59) EPHA2NTSR2NTSR1SORT1
SCHEMBL9551316 0.95 EPHA2 (0.59) EPHA2NTSR2NTSR1SORT1SLC6A2
SCHEMBL9807265 0.93 EPHA2 (0.61) EPHA2NTSR2NTSR1SORT1SLC6A2
SCHEMBL9807269 0.92 EPHA2 (0.63) EPHA2NTSR2NTSR1SORT1SLC6A2
SCHEMBL29379857 0.90 SLC6A2 (0.60) EPHA2NTSR2NTSR1SORT1SLC6A2
SCHEMBL32664435 0.90 NTSR2 (0.58) NTSR2NTSR1SORT1SLC6A2
SCHEMBL30053247 0.89 KDM1A (0.62) EPHA2NTSR2NTSR1SORT1
SCHEMBL29980542 0.88 EPHA2 (0.59) EPHA2NTSR2NTSR1SORT1
SCHEMBL31257023 0.88 EPHA2 (0.57) EPHA2NTSR2NTSR1SORT1SLC6A2
SCHEMBL9807306 0.88 EPHA2 (0.62) EPHA2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0146266-B1 ENZYME-RESISTANT IMMUNOMODULATORY PEPTIDES ORTHO PHARMACEUTICAL CORPORATION (US) 1991-05-22 — — EP disclosed
EP-0146266-A2 Enzyme-resistant immunomodulatory peptides ORTHO PHARMACEUTICAL CORPORATION (US) 1985-06-26 — — EP disclosed
US-4505853-A GLANDULAR DISORDERS ORTHO PHARMACEUTICAL CORPORATION (US) 1985-03-19 — — US disclosed
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