SCHEMBL22923736

SCHEMBL22923736

CCCCCCCNC(=O)[C@H](CCCCNC(=O)CCO)NC(=O)CCCCCC

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.63
GLP1R P43220 8/20 0.61
LPAR3 Q9UBY5 4/20 0.57
TLR2 O60603 1/20 0.57
NOD1 Q9Y239 3/20 0.56
LPAR1 Q92633 2/20 0.56
SIRT6 Q8N6T7 1/20 0.55
SIRT1 Q96EB6 1/20 0.55
NMT2 O60551 1/20 0.51
NMT1 P30419 1/20 0.51

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
SCHEMBL15085165 0.93 GLP1R (0.64) GLP1RLPAR3TLR2NOD1LPAR1
SCHEMBL14642513 0.92 GLP1R (0.63) GLP1RLPAR3TLR2NOD1LPAR1
SCHEMBL18889446 0.91 GLP1R (0.62) GLP1RLPAR3TLR2NOD1LPAR1
SCHEMBL18889580 0.91 GLP1R (0.62) GLP1RLPAR3TLR2NOD1LPAR1
SCHEMBL15369080 0.90 GLP1R (0.61) GLP1RLPAR3TLR2NOD1LPAR1
SCHEMBL20542805 0.89 LPAR3 (0.65) GLP1RLPAR3TLR2NOD1LPAR1
SCHEMBL20542804 0.89 LPAR3 (0.65) GLP1RLPAR3TLR2NOD1LPAR1
SCHEMBL23443071 0.88 GLP1R (0.60) GLP1RLPAR3TLR2NOD1LPAR1
SCHEMBL22386556 0.88 NAAA (0.61) NAAAGLP1RTLR2NOD1
SCHEMBL15720863 0.88 SIRT6 (0.64) GLP1RLPAR3TLR2NOD1LPAR1

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-2021013693-A1 ANTIBODY DRUG CONJUGATES (ADCS) WITH NAMPT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-01-28 WO disclosed