SCHEMBL8318247

SCHEMBL8318247

CCOC(=O)c1ccccc1C1=CC2(CCN(C(=O)C(CCCc3ccccc3)NC(=O)OC(C)(C)C)CC2)c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.42
CTSK P43235 3/20 0.40
MAPK1 P28482 1/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
CTSS P25774 1/20 0.39
KMT2A Q03164 2/20 0.39
TGM2 P21980 2/20 0.37
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36
PABPC1 P11940 1/20 0.36
SCN9A Q15858 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
CCKBR P32239 1/20 0.35

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
SCHEMBL9389839 0.92 CCKBR (0.38) KMT2ATGM2CCKBR
SCHEMBL8313266 0.84 FNTA (0.38) CTSKMAPK1ITGB3ITGA2BCTSS
SCHEMBL8311925 0.84 CTSK (0.40) CTSKMAPK1ITGB3ITGA2BCTSS
SCHEMBL8316463 0.79 MEN1 (0.42) KMT2A
SCHEMBL8312710 0.79 FAAH (0.35) CTSKMAPK1ITGB3ITGA2BKMT2A
SCHEMBL8317004 0.76 CTSK (0.42) ADORA1CTSKMAPK1ITGB3ITGA2B
SCHEMBL8316003 0.74 CTSK (0.41) ADORA1CTSKMAPK1ITGB3ITGA2B
SCHEMBL8316006 0.74 CTSK (0.41) ADORA1CTSKMAPK1ITGB3ITGA2B
SCHEMBL8314601 0.73 ITGB3 (0.41) ADORA1CTSKMAPK1ITGB3ITGA2B
SCHEMBL8314603 0.73 ITGB3 (0.41) ADORA1CTSKMAPK1ITGB3ITGA2B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0662481-B1 Spiro piperidines and homologs promote release of growth hormone MERCK & CO INC (US) 1999-03-24 EP disclosed
US-5578593-A RELEASING GROWTH HORMONES FOR ANIMALS MERCK & CO., INC. (US) 1996-11-26 US disclosed
EP-0662481-A1 Spiro piperidines and homologs promote release of growth hormone MERCK & CO. INC. (US) 1995-07-12 EP disclosed