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SCHEMBL18116451

SCHEMBL18116451

CCCC[C@@H](N)C(=O)Nc1cc(C(C)(C)C)cc(NC(=O)c2cccc(C(=O)Nc3cc(C(C)(C)C)cc(NC(=O)[C@H](N)CCCCN)c3SCCN)c2)c1SCCN

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ERAP2 Q6P179 15/20 0.48
▸ LNPEP Q9UIQ6 14/20 0.48
▸ ERAP1 Q9NZ08 7/20 0.47
▸ TERT O14746 2/20 0.39
▸ GNAI3 P08754 1/20 0.38
▸ GNAO1 P09471 1/20 0.38
▸ GNAI1 P63096 1/20 0.38

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
SCHEMBL10198577 0.98 ERAP2 (0.46) ERAP2LNPEPERAP1TERTGNAI3
SCHEMBL10288432 0.96 ERAP2 (0.42) ERAP2LNPEPERAP1TERT
SCHEMBL85492 0.96 ERAP2 (0.42) ERAP2LNPEPERAP1TERT
SCHEMBL11927714 0.96 ERAP2 (0.42) ERAP2LNPEPERAP1TERT
SCHEMBL18116728 0.95 ERAP2 (0.42) ERAP2LNPEPERAP1TERT
SCHEMBL19445613 0.93 ERAP2 (0.40) ERAP2LNPEPERAP1TERT
SCHEMBL19445665 0.85 TERT (0.35) ERAP2LNPEPERAP1TERT
SCHEMBL10292404 0.85 TERT (0.35) ERAP2LNPEPERAP1TERT
SCHEMBL11947668 0.85 TERT (0.35) ERAP2LNPEPERAP1TERT
SCHEMBL11927706 0.84 ERAP2 (0.42) ERAP2LNPEPERAP1

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
US-9457027-B2 Compounds for use in treatment of mucostis CELLCEUTIX CORPORATION (US) 2016-10-04 — — US disclosed