SCHEMBL20245158

SCHEMBL20245158

NCCCC[C@H](N)C(=O)NCCOCCOCC(=O)N[C@@H](CO)C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GNAI3 P08754 1/20 0.43
▸ GNAO1 P09471 1/20 0.43
▸ GNAI1 P63096 1/20 0.43
▸ CA2 P00918 1/20 0.41
▸ NMT2 O60551 2/20 0.40
▸ NMT1 P30419 2/20 0.40
▸ TLR2 O60603 3/20 0.40
▸ TERT O14746 4/20 0.39
▸ NPBWR1 P48145 1/20 0.39
▸ GLP1R P43220 5/20 0.38
▸ NOS1 P29475 1/20 0.37

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 0.87 NMT1 (0.46) NMT2NMT1TLR2NPBWR1GLP1R
SCHEMBL20244915 0.84 NMT1 (0.44) NMT2NMT1TLR2NPBWR1GLP1R
SCHEMBL20244914 0.83 TLR2 (0.44) NMT2NMT1TLR2NPBWR1GLP1R
SCHEMBL17922802 0.82 GNAI3 (0.48) GNAI3GNAO1GNAI1CA2TLR2
SCHEMBL19543639 0.80 GNAI3 (0.62) GNAI3GNAO1GNAI1CA2TLR2
SCHEMBL21778353 0.79 GLP1R (0.47) NMT2NMT1TLR2GLP1R
SCHEMBL12344749 0.79 GNAI3 (0.57) GNAI3GNAO1GNAI1CA2TLR2
SCHEMBL13790281 0.79 GNAI3 (0.57) GNAI3GNAO1GNAI1CA2TLR2
SCHEMBL20244935 0.79 MEN1 (0.41) NMT2NMT1TLR2NPBWR1GLP1R
SCHEMBL26839212 0.78 GNAI3 (0.55) GNAI3GNAO1GNAI1CA2TLR2

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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