SCHEMBL8522338

SCHEMBL8522338

CC(C)(C)OC(=O)NC(C)(C)C(=O)N[C@H](CCCc1ccccc1)C(=O)N1CCC2(CC1)CC(=O)c1ccccc12

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.40
TACR1 P25103 1/20 0.38
SIGMAR1 Q99720 3/20 0.38
CTSK P43235 2/20 0.38
MMP1 P03956 2/20 0.38
MMP3 P08254 2/20 0.38
MMP9 P14780 2/20 0.38
KMT2A Q03164 2/20 0.37
HRH3 Q9Y5N1 1/20 0.37
MAPK1 P28482 1/20 0.37
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
TGM2 P21980 1/20 0.36
CTSS P25774 1/20 0.36
CCKBR P32239 1/20 0.36
HRH2 P25021 1/20 0.35
HRH1 P35367 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
SCHEMBL8522337 1.00 GHSR (0.40) GHSRTACR1SIGMAR1CTSKMMP1
SCHEMBL2589574 0.86 GHSR (0.50) GHSRTACR1SIGMAR1MMP1MMP3
SCHEMBL2589571 0.86 GHSR (0.50) GHSRTACR1SIGMAR1MMP1MMP3
Hydrochloric Acid SCHEMBL8521973 0.86 TACR1 (0.44) GHSRTACR1SIGMAR1KMT2A
Hydrochloric Acid SCHEMBL8521974 0.86 TACR1 (0.44) GHSRTACR1SIGMAR1KMT2A
Hydrochloric Acid SCHEMBL8521498 0.85 GHSR (0.49) GHSRTACR1SIGMAR1MMP1MMP3
Hydrochloric Acid SCHEMBL8521496 0.85 GHSR (0.49) GHSRTACR1SIGMAR1MMP1MMP3
Trifluoroacetic Acid SCHEMBL8521644 0.83 GHSR (0.47) GHSRTACR1SIGMAR1CTSKHRH3
Trifluoroacetic Acid SCHEMBL8521646 0.83 GHSR (0.47) GHSRTACR1SIGMAR1CTSKHRH3
SCHEMBL8522895 0.82 TACR1 (0.46) GHSRTACR1SIGMAR1CTSKKMT2A

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