SCHEMBL461518

SCHEMBL461518

CC(C)(C)[C@@](CNC(=O)c1ccc(N2CCC(NC3=NCCCCN3)CC2)cc1)(NS(=O)(=O)Cc1ccccc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.55
ITGAV P06756 14/20 0.55
ITGA2B P08514 11/20 0.55
RORC P51449 2/20 0.35
LMNA P02545 1/20 0.34
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSS P25774 1/20 0.33
ME3 Q16798 1/20 0.33

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
SCHEMBL383585 0.90 ITGB3 (0.64) ITGB3ITGAVITGA2BCTSLCTSB
SCHEMBL423056 0.85 ITGB3 (0.40) ITGB3ITGAVITGA2BRORCLMNA
SCHEMBL383583 0.76 ITGB3 (0.61) ITGB3ITGAVITGA2B
SCHEMBL383582 0.75 ITGB3 (0.59) ITGB3ITGAVITGA2B
SCHEMBL383161 0.74 ITGB3 (0.47) ITGB3ITGAVITGA2B
SCHEMBL382656 0.74 ITGB3 (0.63) ITGB3ITGAVITGA2BLMNA
SCHEMBL383584 0.74 ITGB3 (0.77) ITGB3ITGAVITGA2B
SCHEMBL382705 0.74 ITGB3 (0.95) ITGB3ITGAVITGA2B
SCHEMBL7654735 0.72 ITGB3 (0.66) ITGB3ITGAVITGA2B
SCHEMBL7656746 0.72 ITGB3 (0.73) ITGB3ITGAVITGA2B

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
EP-1074543-B1 AMINOPIPERIDINE DERIVATIVES AS INTEGRIN ALPHA V BETA 3 ANTAGONISTS MEIJI SEIKA PHARMA CO LTD (JP) 2012-01-25 EP claimed