SCHEMBL25454957

SCHEMBL25454957

CNCCCCOCCOCCOCCOCCC(=O)NCCCCC(NC(=O)CCOCCOCCOCCOCCNC)C(=O)NC(CCCCNC(=O)CCOCCOCCOCCOCCNC)C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 8/20 0.46
▸ SIRT5 Q9NXA8 2/20 0.43
▸ TLR2 O60603 1/20 0.43
▸ ALB P02768 1/20 0.39
▸ ROCK2 O75116 3/20 0.38
▸ PRKACA P17612 1/20 0.38
▸ AKT3 Q9Y243 1/20 0.38
▸ NMT2 O60551 1/20 0.37
▸ NMT1 P30419 1/20 0.37
▸ NOD1 Q9Y239 1/20 0.36
▸ NPY1R P25929 1/20 0.35
▸ NPY2R P49146 1/20 0.35
▸ NPY4R P50391 1/20 0.35
▸ NPY5R Q15761 1/20 0.35
▸ CHRNA1 P02708 1/20 0.35
▸ CHRNG P07510 1/20 0.35
▸ CHRNB1 P11230 1/20 0.35
▸ CHRND Q07001 1/20 0.35

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
SCHEMBL14902999 0.92 GLP1R (0.46) GLP1RSIRT5TLR2ALBROCK2
SCHEMBL15492702 0.87 ALB (0.43) GLP1RSIRT5TLR2ALBNOD1
SCHEMBL15492704 0.84 GLP1R (0.46) GLP1RSIRT5TLR2ALBNOD1
SCHEMBL12680258 0.83 TLR2 (0.56) GLP1RSIRT5TLR2ROCK2PRKACA
SCHEMBL13347257 0.83 TLR2 (0.56) GLP1RSIRT5TLR2ROCK2PRKACA
SCHEMBL14903000 0.82 GLP1R (0.49) GLP1RSIRT5TLR2ALBNOD1
SCHEMBL27310506 0.82 GLP1R (0.48) GLP1RSIRT5TLR2ALB
SCHEMBL27310512 0.81 GLP1R (0.52) GLP1RSIRT5TLR2ALBROCK2
SCHEMBL20799729 0.81 GLP1R (0.42) GLP1RTLR2ALBROCK2PRKACA
SCHEMBL16327810 0.81 TLR2 (0.57) GLP1RTLR2ROCK2PRKACAAKT3

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-20230152316-A1 SARS-COV2 SPIKE PROTEIN BINDING PEPTIDES MASSACHUSETTS INST TECHNOLOGY (US) 2023-05-18 — — US disclosed
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