SCHEMBL27902245

SCHEMBL27902245

CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.76
CTSS P25774 1/20 0.76
CTSK P43235 1/20 0.76
ACE P12821 4/20 0.72
MAPT P10636 2/20 0.69
TP53 P04637 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.67
SCN9A Q15858 1/20 0.66
TACR1 P25103 2/20 0.65
CCKBR P32239 4/20 0.64
ECE1 P42892 2/20 0.61
REN P00797 1/20 0.61

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
SCHEMBL27871524 1.00 CTSL (0.76) CTSLCTSSCTSKACEMAPT
SCHEMBL3825352 0.96 ACE (0.78) CTSLCTSSCTSKACEMAPT
SCHEMBL27885190 0.96 ACE (0.78) CTSLCTSSCTSKACEMAPT
SCHEMBL30638855 0.96 ACE (0.78) CTSLCTSSCTSKACEMAPT
SCHEMBL31484559 0.96 ACE (0.78) CTSLCTSSCTSKACEMAPT
SCHEMBL27885189 0.96 ACE (0.78) CTSLCTSSCTSKACEMAPT
SCHEMBL1003555 0.96 ACE (0.77) CTSLCTSSCTSKACEMAPT
SCHEMBL30976323 0.96 ACE (0.77) CTSLCTSSCTSKACEMAPT
SCHEMBL850438 0.96 ACE (0.77) CTSLCTSSCTSKACEMAPT
SCHEMBL1486167 0.96 ACE (0.77) CTSLCTSSCTSKACEMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102807601-B Aminoacyl-tryptophanyl-5-methoxytryptamine and preparation method and application thereof UNIV CAPITAL MEDICAL SCIENCES 2014-02-26 CN disclosed
CN-102807601-A Aminoacyl-tryptophanyl-5-methoxytryptamine and preparation method and application thereof UNIV CAPITAL MEDICAL 2012-12-05 CN disclosed