SCHEMBL21233810

SCHEMBL21233810

CN[C@@H](CCCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOC)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 8/20 0.45
▸ TSHR P16473 1/20 0.45
▸ FOLH1 Q04609 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ ALB P02768 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ DGAT1 O75907 4/20 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
SCHEMBL16327450 1.00 GLP1R (0.45) GLP1RTSHRFOLH1KDM4ELMNA
SCHEMBL25355950 0.92 TSHR (0.50) GLP1RTSHRFOLH1KDM4ELMNA
SCHEMBL25355952 0.92 TSHR (0.50) GLP1RTSHRFOLH1KDM4ELMNA
SCHEMBL22872352 0.91 GLP1R (0.46) GLP1RTSHRFOLH1KDM4ELMNA
SCHEMBL12171769 0.90 GLP1R (0.55) GLP1RTSHRFOLH1ALBDGAT1
SCHEMBL30757553 0.90 GLP1R (0.55) GLP1RTSHRFOLH1ALBDGAT1
SCHEMBL13963172 0.88 GLP1R (0.44) GLP1RTSHRFOLH1KDM4ELMNA
SCHEMBL16639044 0.88 GLP1R (0.44) GLP1RTSHRFOLH1KDM4ELMNA
SCHEMBL25128698 0.87 TSHR (0.43) GLP1RTSHRFOLH1KDM4ELMNA
SCHEMBL25128745 0.87 TSHR (0.43) GLP1RTSHRFOLH1KDM4ELMNA

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-2019149637-A1 ANTIBODY DRUG CONJUGATES (ADCS) WITH NAMPT INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2019-08-08 — — WO disclosed
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