SCHEMBL9807256

SCHEMBL9807256

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(N)=O

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EPHA2 P29317 2/20 0.59
▸ CALCRL Q16602 3/20 0.58
▸ NTSR2 O95665 4/20 0.56
▸ NTSR1 P30989 4/20 0.56
▸ SORT1 Q99523 4/20 0.56
▸ KDM1A O60341 3/20 0.55
▸ MAOB P27338 1/20 0.54
▸ KDM5A P29375 1/20 0.54
▸ KDM1B Q8NB78 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
SCHEMBL9807245 0.96 EPHA2 (0.61) EPHA2NTSR2NTSR1SORT1
SCHEMBL9807306 0.92 EPHA2 (0.62) EPHA2CALCRLKDM1AMAOBKDM5A
SCHEMBL9807252 0.92 EPHA2 (0.62) EPHA2CALCRLKDM1AMAOBKDM5A
SCHEMBL9551316 0.91 EPHA2 (0.59) EPHA2CALCRLNTSR2NTSR1SORT1
SCHEMBL29980542 0.90 EPHA2 (0.59) EPHA2NTSR2NTSR1SORT1KDM1A
SCHEMBL9807265 0.89 EPHA2 (0.61) EPHA2NTSR2NTSR1SORT1KDM1A
SCHEMBL30038002 0.89 NPY4R (0.59) —
SCHEMBL13807693 0.88 NTSR2 (0.56) EPHA2NTSR2NTSR1SORT1KDM1A
SCHEMBL13807691 0.88 EPHA2 (0.57) EPHA2NTSR2NTSR1SORT1
SCHEMBL9807269 0.88 EPHA2 (0.63) EPHA2NTSR2NTSR1SORT1KDM1A

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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