SCHEMBL383585

SCHEMBL383585

CC(C)(C)[C@@](CNC(=O)c1ccc(N2CCC(NC3=NCCCCN3)CC2)cc1)(NS(=O)(=O)c1ccccc1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 15/20 0.64
ITGA2B P08514 14/20 0.64
ITGAV P06756 14/20 0.64
SFRP1 Q8N474 1/20 0.35
GLA P06280 1/20 0.34
MAPT P10636 1/20 0.34
ATM Q13315 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
CTSS P25774 1/20 0.34
ITGB1 P05556 1/20 0.34
ITGB5 P18084 1/20 0.34
HPGDS O60760 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
SCHEMBL461518 0.90 ITGB3 (0.55) ITGB3ITGA2BITGAVCTSLCTSB
SCHEMBL383161 0.85 ITGB3 (0.47) ITGB3ITGA2BITGAVSFRP1GLA
SCHEMBL383583 0.85 ITGB3 (0.61) ITGB3ITGA2BITGAVSFRP1GLA
SCHEMBL382656 0.84 ITGB3 (0.63) ITGB3ITGA2BITGAVMAPT
SCHEMBL382705 0.81 ITGB3 (0.95) ITGB3ITGA2BITGAV
SCHEMBL382573 0.80 ITGB3 (0.43) ITGB3ITGA2BITGAVSFRP1MAPT
SCHEMBL460325 0.80 ITGB3 (0.43) ITGB3ITGA2BITGAVSFRP1GLA
SCHEMBL7654735 0.79 ITGB3 (0.66) ITGB3ITGA2BITGAVSFRP1HPGDS
SCHEMBL383469 0.79 CCR5 (0.42) ITGB3ITGA2BITGAVSFRP1GLA
SCHEMBL383582 0.79 ITGB3 (0.59) ITGB3ITGA2BITGAVHPGDS

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