SCHEMBL27274276

SCHEMBL27274276

NCC[C@H](N)C(=O)NCCOCCOCC(=O)NCCCCCCCCCCC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ RRM1 P23921 1/20 0.50
▸ GLP1R P43220 8/20 0.49
▸ DPP7 Q9UHL4 2/20 0.48
▸ GNAI3 P08754 1/20 0.42
▸ GNAO1 P09471 1/20 0.42
▸ GNAI1 P63096 1/20 0.42
▸ TLR2 O60603 4/20 0.41
▸ LTA4H P09960 1/20 0.40
▸ EPOR P19235 1/20 0.38
▸ ITGB3 P05106 1/20 0.38
▸ ITGA2B P08514 1/20 0.38
▸ PLK1 P53350 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
SCHEMBL20146951 0.88 GLP1R (0.52) RRM1GLP1RDPP7GNAI3GNAO1
SCHEMBL17922789 0.88 GLP1R (0.54) GLP1RDPP7GNAI3GNAO1GNAI1
SCHEMBL16493177 0.87 GLP1R (0.53) GLP1RDPP7GNAI3GNAO1GNAI1
SCHEMBL16638308 0.86 GLP1R (0.59) RRM1GLP1RDPP7GNAI3GNAO1
SCHEMBL18551937 0.85 GLP1R (0.64) RRM1GLP1RDPP7GNAI3GNAO1
SCHEMBL26903901 0.84 GLP1R (0.50) RRM1GLP1RTLR2EPORITGB3
SCHEMBL27292709 0.83 GLP1R (0.49) GLP1RITGB3ITGA2B
SCHEMBL16382930 0.82 GLP1R (0.58) GLP1RGNAI3GNAO1GNAI1TLR2
SCHEMBL19034928 0.82 GLP1R (0.55) GLP1REPORITGB3ITGA2B
SCHEMBL19049678 0.82 GLP1R (0.55) GLP1REPORITGB3ITGA2B

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
WO-2024059472-A1 MACROCYCLIC IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2024-03-21 — — WO disclosed
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