SCHEMBL8522828

SCHEMBL8522828

CC(C)(C)OC(=O)NC(C)(C)C(=O)N[C@H](CCc1ccc(O)cc1)C(=O)N1CCC2(CCc3ccccc32)CC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 5/20 0.44
TACR2 P21452 5/20 0.39
GHSR Q92847 1/20 0.38
RBP4 P02753 1/20 0.38
OPRL1 P41146 4/20 0.37
SIGMAR1 Q99720 1/20 0.36
F2RL1 P55085 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
DRD2 P14416 1/20 0.36
OPRM1 P35372 1/20 0.36
KCNH2 Q12809 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
SCHEMBL8522826 1.00 TACR1 (0.44) TACR1TACR2GHSRRBP4OPRL1
SCHEMBL8522896 0.94 TACR1 (0.46) TACR1TACR2GHSRRBP4OPRL1
SCHEMBL8522895 0.94 TACR1 (0.46) TACR1TACR2GHSRRBP4OPRL1
SCHEMBL8521895 0.92 SIGMAR1 (0.46) TACR1TACR2GHSROPRL1SIGMAR1
SCHEMBL8521896 0.92 SIGMAR1 (0.46) TACR1TACR2GHSROPRL1SIGMAR1
Hydrochloric Acid SCHEMBL8521974 0.89 TACR1 (0.44) TACR1TACR2GHSROPRL1SIGMAR1
Hydrochloric Acid SCHEMBL8521973 0.89 TACR1 (0.44) TACR1TACR2GHSROPRL1SIGMAR1
SCHEMBL8522656 0.86 GHSR (0.48) TACR1TACR2GHSRRBP4OPRL1
SCHEMBL8522658 0.86 GHSR (0.48) TACR1TACR2GHSRRBP4OPRL1
Hydrochloric Acid SCHEMBL8523055 0.79 GHSR (0.51) TACR1TACR2GHSRRBP4OPRL1

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