SCHEMBL8522895

SCHEMBL8522895

CC(C)(C)OC(=O)NC(C)(C)C(=O)NC(CCc1ccccc1)C(=O)N1CCC2(CCc3ccccc32)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 5/20 0.46
TACR2 P21452 5/20 0.44
SIGMAR1 Q99720 4/20 0.42
OPRL1 P41146 3/20 0.42
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
GHSR Q92847 1/20 0.41
KMT2A Q03164 1/20 0.40
OPRK1 P41145 1/20 0.39
RBP4 P02753 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPK1 P28482 1/20 0.38

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
SCHEMBL8522896 1.00 TACR1 (0.46) TACR1TACR2SIGMAR1OPRL1CTSS
Hydrochloric Acid SCHEMBL8521973 0.94 TACR1 (0.44) TACR1TACR2SIGMAR1OPRL1GHSR
SCHEMBL8522828 0.94 TACR1 (0.44) TACR1TACR2SIGMAR1OPRL1CTSS
SCHEMBL8522826 0.94 TACR1 (0.44) TACR1TACR2SIGMAR1OPRL1CTSS
Hydrochloric Acid SCHEMBL8521974 0.94 TACR1 (0.44) TACR1TACR2SIGMAR1OPRL1GHSR
SCHEMBL8521896 0.93 SIGMAR1 (0.46) TACR1TACR2SIGMAR1OPRL1GHSR
SCHEMBL8521895 0.93 SIGMAR1 (0.46) TACR1TACR2SIGMAR1OPRL1GHSR
Hydrochloric Acid SCHEMBL8523055 0.85 GHSR (0.51) TACR1TACR2SIGMAR1OPRL1GHSR
Hydrochloric Acid SCHEMBL8523052 0.85 GHSR (0.51) TACR1TACR2SIGMAR1OPRL1GHSR
SCHEMBL8522337 0.82 GHSR (0.40) TACR1SIGMAR1CTSSCTSKGHSR

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