SCHEMBL383467

SCHEMBL383467

CC(C)(C)OC(=O)NC1CCN(c2ccc(C(=O)NC(CC(=O)O)(NS(=O)(=O)c3ccccc3)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
KCNA3 P22001 1/20 0.40
NAMPT P43490 2/20 0.40
ITGB3 P05106 1/20 0.39
ITGAV P06756 1/20 0.39
ITGA2B P08514 1/20 0.39
MAPK8 P45983 1/20 0.39
SFRP1 Q8N474 1/20 0.39
ALDH1A1 P00352 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
NPC1L1 Q9UHC9 1/20 0.38
KMT2A Q03164 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
DRD2 P14416 2/20 0.37

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
SCHEMBL383159 0.84 ITGB3 (0.44) ITGB3ITGAVITGA2BSFRP1GLA
SCHEMBL383469 0.82 CCR5 (0.42) CCR5CKS1BSKP1SKP2KCNA3
SCHEMBL7664593 0.81 CCR5 (0.44) CCR5CKS1BSKP1SKP2KCNA3
SCHEMBL383583 0.79 ITGB3 (0.61) ITGB3ITGAVITGA2BSFRP1ALDH1A1
SCHEMBL382571 0.79 ITGB3 (0.42) ITGB3ITGAVITGA2BSFRP1ALDH1A1
SCHEMBL7664581 0.78 ITGB3 (0.64) ITGB3ITGAVITGA2B
SCHEMBL460323 0.78 ITGB3 (0.41) ITGB3ITGAVITGA2BSFRP1GLA
SCHEMBL7664584 0.77 CCR5 (0.42) CCR5CKS1BSKP1SKP2KCNA3
SCHEMBL382658 0.76 MAPT (0.40) ITGB3ITGAVITGA2BALDH1A1MAPT
SCHEMBL6499251 0.76 SFRP1 (0.42) ITGB3ITGAVITGA2BSFRP1ALDH1A1

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