SCHEMBL8624503

SCHEMBL8624503

NC(=O)c1nc([C@H]2CC[C@H](CCC(=O)O)CC2)cn1C1CCNCC1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 5/20 0.39
PIM1 P11309 3/20 0.35
PIM2 Q9P1W9 3/20 0.35
TTK P33981 1/20 0.35
ITGB3 P05106 10/20 0.34
ITGA2B P08514 10/20 0.34
FFAR4 Q5NUL3 1/20 0.33
PIM3 Q86V86 1/20 0.32
MAPK14 Q16539 1/20 0.32

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
SCHEMBL8624504 1.00 DGAT1 (0.39) DGAT1PIM1PIM2TTKITGB3
Hydrochloric Acid SCHEMBL8624214 0.99 DGAT1 (0.39) DGAT1PIM1PIM2TTKITGB3
Hydrochloric Acid SCHEMBL8624210 0.99 DGAT1 (0.39) DGAT1PIM1PIM2TTKITGB3
Hydrochloric Acid SCHEMBL8621663 0.87 PIM1 (0.34) DGAT1PIM1PIM2TTKITGB3
Hydrochloric Acid SCHEMBL8621666 0.87 PIM1 (0.34) DGAT1PIM1PIM2TTKITGB3
SCHEMBL8621446 0.69 DGAT1 (0.43) DGAT1ITGB3ITGA2B
SCHEMBL8621442 0.69 DGAT1 (0.43) DGAT1ITGB3ITGA2B
Bromide SCHEMBL8622980 0.68 DGAT1 (0.42) DGAT1ITGB3ITGA2B
Bromide SCHEMBL8622983 0.68 DGAT1 (0.42) DGAT1ITGB3ITGA2B
Hydrochloric Acid SCHEMBL8626324 0.68 MAPK14 (0.40) PIM1PIM2TTKITGB3ITGA2B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5817677-A ANTITHROMBOSIS AGENTS DR. KARL THOMAE GMBH (DE) 1998-10-06 US disclosed
US-5817677-A ANTITHROMBOSIS AGENTS DR. KARL THOMAE GMBH (DE) 1998-10-06 US disclosed