SCHEMBL21782631

SCHEMBL21782631

COC(=O)C(CCCCN)NC(=O)C(I)CCCCN

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ERAP2 Q6P179 7/20 0.43
▸ LNPEP Q9UIQ6 6/20 0.43
▸ ERAP1 Q9NZ08 3/20 0.42
▸ SIRT6 Q8N6T7 1/20 0.40
▸ SIRT1 Q96EB6 1/20 0.40
▸ ANPEP P15144 1/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ FOLH1 Q04609 2/20 0.40
▸ SSTR3 P32745 1/20 0.39
▸ NMT2 O60551 1/20 0.38
▸ NMT1 P30419 1/20 0.38
▸ BIRC2 Q13490 2/20 0.36
▸ CPB2 Q96IY4 1/20 0.36

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
SCHEMBL21782583 0.87 NPY4R (0.46) ERAP2LNPEPERAP1SIRT6SIRT1
SCHEMBL28497206 0.84 ERAP2 (0.47) ERAP2LNPEPERAP1SIRT6SIRT1
SCHEMBL13496274 0.84 ERAP2 (0.54) ERAP2LNPEPERAP1SIRT6SIRT1
SCHEMBL16263606 0.84 ERAP2 (0.43) ERAP2LNPEPERAP1SIRT6SIRT1
SCHEMBL5494276 0.81 SIRT6 (0.54) ERAP2LNPEPERAP1SIRT6SIRT1
SCHEMBL634032 0.81 FOLH1 (0.46) ERAP2LNPEPERAP1SIRT6SIRT1
SCHEMBL2387748 0.81 SIRT6 (0.54) ERAP2LNPEPERAP1SIRT6SIRT1
SCHEMBL15148580 0.81 ERAP2 (0.43) ERAP2LNPEPERAP1SIRT6SIRT1
SCHEMBL20620366 0.81 ERAP2 (0.43) ERAP2LNPEPERAP1SIRT6SIRT1
SCHEMBL2734207 0.81 ERAP2 (0.52) ERAP2LNPEPERAP1SIRT6SIRT1

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
EP-2753613-B1 DERIVATIVES OF XANTHONE COMPOUNDS AGENCY SCIENCE TECH & RES (SG) 2020-03-04 — — EP disclosed
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