SCHEMBL28118356

SCHEMBL28118356

CC(N)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCCCN)C(=O)O

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 4/20 0.74
▸ ACE P12821 2/20 0.61
▸ ECE1 P42892 3/20 0.57
▸ ERAP2 Q6P179 1/20 0.57

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
SCHEMBL2108899 1.00 GHSR (0.74) GHSRACEECE1ERAP2
SCHEMBL1712034 1.00 GHSR (0.74) GHSRACEECE1ERAP2
SCHEMBL21081909 0.95 GHSR (0.69) GHSRACEECE1ERAP2
SCHEMBL30974495 0.94 GHSR (0.67) GHSRACEECE1ERAP2
SCHEMBL1711338 0.92 GHSR (0.64) GHSRACEECE1ERAP2
SCHEMBL1711224 0.92 GHSR (0.64) GHSRACEECE1ERAP2
SCHEMBL27601755 0.92 GHSR (0.64) GHSRACEECE1ERAP2
SCHEMBL26444818 0.92 GHSR (0.82) GHSRECE1
SCHEMBL30974046 0.92 GHSR (0.63) GHSRACEECE1ERAP2
SCHEMBL30093010 0.92 GHSR (0.63) GHSRACEECE1ERAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106749665-A The novel conjugates of the analogs of CC 1065 and bifunctional linker 辛塔佳有限公司 2017-05-31 — — CN disclosed
CN-103118679-B Conjugates of CC-1065 Analogs and Bifunctional Linkers SYNTARGA B.V. (NL) 2016-12-14 — — CN disclosed
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