SCHEMBL460322

SCHEMBL460322

CC(C)(C)N(OC(=O)CCNC(=O)c1ccc(N2CCC(Nc3nc4ncccc4[nH]3)CC2)cc1)S(=O)(=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.40
ITGAV P06756 3/20 0.40
ITGA2B P08514 3/20 0.40
CASR P41180 9/20 0.37
KCNH2 Q12809 2/20 0.36
ADRB3 P13945 2/20 0.36
ALDH1A1 P00352 1/20 0.34
GFER P55789 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
ADRA1D P25100 1/20 0.34
HTR2A P28223 1/20 0.34
ADRA1A P35348 1/20 0.34
HRH1 P35367 1/20 0.34
ADRA1B P35368 1/20 0.34
DRD3 P35462 1/20 0.34
HPGDS O60760 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL382570 0.90 SMN1; SMN2 (0.41) ITGB3ITGAVITGA2BCASRKCNH2
SCHEMBL383158 0.87 ITGB3 (0.44) ITGB3ITGAVITGA2BCASRADRB3
SCHEMBL7655429 0.86 ITGB3 (0.44) ITGB3ITGAVITGA2BCASRKCNH2
SCHEMBL383350 0.82 CASR (0.42) ITGB3ITGAVITGA2BCASRADRB3
SCHEMBL383252 0.82 CASR (0.42) ITGB3ITGAVITGA2BCASRADRB3
SCHEMBL383582 0.81 ITGB3 (0.59) ITGB3ITGAVITGA2BCASRADRB3
SCHEMBL6499244 0.80 CNR1 (0.38) ITGB3ITGAVITGA2BKCNH2ALDH1A1
SCHEMBL460325 0.79 ITGB3 (0.43) ITGB3ITGAVITGA2BCASRKCNH2
SCHEMBL383466 0.79 CCR5 (0.46) ITGB3ITGAVITGA2BCASRADRB3
SCHEMBL6500429 0.78 ITGB3 (0.36) ITGB3ITGAVITGA2BHTR1ADRD3

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