SCHEMBL383469

SCHEMBL383469

CC(C)(C)OC(=O)NC1CCN(c2ccc(C(=O)NC[C@@](NS(=O)(=O)c3ccccc3)(C(=O)O)C(C)(C)C)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.42
CKS1B P61024 1/20 0.42
SKP1 P63208 1/20 0.42
SKP2 Q13309 1/20 0.42
NAMPT P43490 2/20 0.41
ITGB3 P05106 2/20 0.40
ITGA2B P08514 2/20 0.40
ITGAV P06756 1/20 0.40
KCNA3 P22001 1/20 0.40
MAPK8 P45983 1/20 0.40
NPC1L1 Q9UHC9 1/20 0.39
SFRP1 Q8N474 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGDS O60760 1/20 0.38
GLA P06280 1/20 0.38
MAPT P10636 1/20 0.38
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 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
SCHEMBL383161 0.84 ITGB3 (0.47) ITGB3ITGA2BITGAVSFRP1HPGDS
SCHEMBL383467 0.82 CCR5 (0.42) CCR5CKS1BSKP1SKP2NAMPT
SCHEMBL7664581 0.81 ITGB3 (0.64) ITGB3ITGA2BITGAV
SCHEMBL7664584 0.80 CCR5 (0.42) CCR5CKS1BSKP1SKP2NAMPT
SCHEMBL382573 0.79 ITGB3 (0.43) ITGB3ITGA2BITGAVSFRP1ALDH1A1
SCHEMBL7664593 0.78 CCR5 (0.44) CCR5CKS1BSKP1SKP2NAMPT
SCHEMBL460325 0.77 ITGB3 (0.43) ITGB3ITGA2BITGAVSFRP1GLA
SCHEMBL382660 0.76 MAPT (0.42) ITGB3ITGA2BITGAVALDH1A1MAPT
SCHEMBL383466 0.76 CCR5 (0.46) CCR5CKS1BSKP1SKP2NAMPT
SCHEMBL6499277 0.75 SFRP1 (0.41) ITGB3ITGA2BITGAVSFRP1GLA

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 disclosed