SCHEMBL8022191

SCHEMBL8022191

CC(c1c[nH]c2ccccc12)[C@H](NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.53
CTSS P25774 1/20 0.53
CTSK P43235 1/20 0.53
MAPT P10636 4/20 0.52
TP53 P04637 1/20 0.52
ACE P12821 2/20 0.50
SSTR3 P32745 2/20 0.48
TACR1 P25103 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
SSTR2 P30874 3/20 0.46
POLB P06746 1/20 0.45
P4HB P07237 1/20 0.45
SCN9A Q15858 1/20 0.45
SSTR1 P30872 1/20 0.44
SSTR4 P31391 1/20 0.44
SSTR5 P35346 1/20 0.44

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
SCHEMBL27621167 1.00 CTSL (0.53) CTSLCTSSCTSKMAPTTP53
SCHEMBL8528011 1.00 CTSL (0.53) CTSLCTSSCTSKMAPTTP53
SCHEMBL5913306 1.00 CTSL (0.53) CTSLCTSSCTSKMAPTTP53
SCHEMBL11636711 0.84 CTSL (0.53) CTSLCTSSCTSKMAPTTP53
SCHEMBL30873796 0.84 CTSL (0.53) CTSLCTSSCTSKMAPTTP53
SCHEMBL8700164 0.83 ALOX15 (0.48) MAPTACETACR1MEN1KMT2A
SCHEMBL8711954 0.83 ALOX15 (0.48) MAPTACETACR1MEN1KMT2A
SCHEMBL5913553 0.82 SSTR2 (0.50) SSTR3KMT2ASSTR2SSTR1SSTR4
SCHEMBL8897369 0.82 MAPT (0.51) CTSLCTSSCTSKMAPTTP53
SCHEMBL8068441 0.82 NMBR (0.58) MAPTTACR1SMN1; SMN2SSTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6063796-A HETEROCYCLIC COMPOUNDS OF PIPERIDINE MERCK & CO., INC. (US) 2000-05-16 US disclosed
EP-0984779-A4 SOMATOSTATIN AGONISTS MERCK & CO INC (US) 2000-05-10 EP disclosed
EP-0984779-A1 SOMATOSTATIN AGONISTS Merck & Co., Inc. (US) 2000-03-15 EP disclosed
WO-1998044922-A1 SOMATOSTATIN AGONISTS MERCK & CO., INC. (US) 1998-10-15 WO disclosed
US-5804578-A USEFUL FOR TREATING OSTEOPROSIS, CATABOLIC ILLNESS, IMMUNE DEFICIENCY, BONE FRACTURE, SHROT STATURE IN CHILDREN, OBASITY, SLEEP DISORDER, CACHEXIA AND PROTEIN LOSS DUE TO CHRONIC ILLNESS SUCH AS AIDS AND CANCER MERCK & CO., INC. (US) 1998-09-08 US disclosed
US-5721251-A INCREASING SECRETION OF GROWTH HORMONE IN HUMANS AND ANIMALS MERCK & CO., INC. (US) 1998-02-24 US disclosed