SCHEMBL382907

SCHEMBL382907

CC(C)(C)N(OC(=O)CCNC(=O)c1ccc(N2CCC(Nc3ncccn3)CC2)c(F)c1F)C(=O)OCc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 4/20 0.35
PRMT5 O14744 1/20 0.34
TP53 P04637 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 2/20 0.33
CCNT1 O60563 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CDK9 P50750 1/20 0.33
CCNA1 P78396 1/20 0.33
ADRA2A P08913 1/20 0.33
MCHR1 Q99705 1/20 0.33
MAPT P10636 2/20 0.33
MAPK1 P28482 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
NTSR1 P30989 1/20 0.33
ITGB3 P05106 1/20 0.33
ITGAV P06756 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
SCHEMBL382399 0.88 ITGB3 (0.40) GRIN2BTP53KMT2ALMNACCNT1
SCHEMBL381718 0.86 ALDH1A1 (0.38) GRIN2BLMNACCNT1CCNA2CDK2
SCHEMBL383135 0.85 ITGB3 (0.43) ADRA2AITGB3ITGAV
SCHEMBL382612 0.84 GAA (0.37) GRIN2BPRMT5MEN1KMT2ALMNA
SCHEMBL383199 0.84 DRD2 (0.36) MEN1KMT2AL3MBTL1ADRA2AMCHR1
SCHEMBL6499236 0.83 CNR1 (0.37) GRIN2BKMT2ALMNAMAPTMAPK1
SCHEMBL382792 0.83 ITGB3 (0.35) ADRA2AMCHR1ITGB3ITGAVHSD17B10
SCHEMBL382989 0.82 ITGB3 (0.36) GRIN2BPRMT5L3MBTL1LMNAMAPT
SCHEMBL382332 0.80 ITGB3 (0.37) LMNAADRA2AMCHR1ITGB3ITGAV
SCHEMBL381825 0.80 EPHX2 (0.36) MEN1KMT2AL3MBTL1CDK2ADRA2A

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