SCHEMBL20245159

SCHEMBL20245159

CNC(CCCCN)C(=O)NCCOCCOCC(=O)NC(C)CO

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NMT1 P30419 5/20 0.44
▸ NMT2 O60551 4/20 0.44
▸ TLR2 O60603 3/20 0.42
▸ GLP1R P43220 8/20 0.41
▸ SIRT6 Q8N6T7 1/20 0.40
▸ SIRT1 Q96EB6 1/20 0.40
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 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
SCHEMBL20245010 0.88 NMT1 (0.46) NMT1NMT2TLR2GLP1RSIRT6
SCHEMBL21778353 0.85 GLP1R (0.47) NMT1NMT2TLR2GLP1RSIRT6
SCHEMBL20245007 0.84 GLP1R (0.44) TLR2GLP1RMEN1KMT2A
SCHEMBL20245033 0.77 MEN1 (0.47) GLP1RMEN1KMT2A
SCHEMBL20244927 0.77 MEN1 (0.47) GLP1RMEN1KMT2A
SCHEMBL8116615 0.76 GLP1R (0.58) NMT1NMT2TLR2GLP1RSIRT6
SCHEMBL20245017 0.76 MEN1 (0.40) NMT1NMT2TLR2GLP1RMEN1
SCHEMBL20244993 0.76 MEN1 (0.43) NMT1NMT2TLR2GLP1RMEN1
SCHEMBL20244935 0.76 MEN1 (0.41) NMT1NMT2TLR2GLP1RMEN1
SCHEMBL12196488 0.75 TLR2 (0.43) NMT1NMT2TLR2GLP1RSIRT6

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-3041468-B1 CYCLIC PEPTIDOMIMETIC COMPOUNDS AS IMMUNOMODULATORS AURIGENE DISCOVERY TECH LTD (IN) 2018-06-13 — — EP disclosed
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