SCHEMBL8311925

SCHEMBL8311925

CC(C)(C)OC(=O)NC(CCCc1ccccc1)C(=O)N1CCC2(C=C(c3ccccn3)c3ccccc32)CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.40
KMT2A Q03164 2/20 0.39
SCN9A Q15858 2/20 0.39
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 1/20 0.39
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
CTSS P25774 1/20 0.38
P2RY12 Q9H244 1/20 0.37
TGM2 P21980 3/20 0.37
PABPC1 P11940 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
METAP1 P53582 1/20 0.36

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
SCHEMBL8313266 0.87 FNTA (0.38) CTSKKMT2ASCN9AHRH2HRH1
SCHEMBL8318247 0.84 ADORA1 (0.42) CTSKKMT2ASCN9AHRH2HRH1
SCHEMBL8312710 0.81 FAAH (0.35) CTSKKMT2ASCN9AHRH2HRH1
SCHEMBL8314426 0.78 GPR119 (0.46) CYP3A4
SCHEMBL9389839 0.74 CCKBR (0.38) KMT2AP2RY12TGM2
SCHEMBL8522338 0.72 GHSR (0.40) CTSKKMT2AHRH2HRH1MAPK1
SCHEMBL8522337 0.72 GHSR (0.40) CTSKKMT2AHRH2HRH1MAPK1
SCHEMBL8317004 0.71 CTSK (0.42) CTSKKMT2AHRH2HRH1MAPK1
SCHEMBL5444581 0.70 CTSK (0.59) CTSKKMT2ASCN9AHRH2HRH1
SCHEMBL8316537 0.70 ITGB3 (0.45) CTSKKMT2AHRH2HRH1MAPK1

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 4 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
WO-1994019367-A1 SPIRO PIPERIDINES AND HOMOLOGS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1994-09-01 WO disclosed