SCHEMBL27902196

SCHEMBL27902196

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

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.66
CTSS P25774 1/20 0.66
CTSK P43235 1/20 0.66
ACE P12821 4/20 0.65
CCKBR P32239 6/20 0.64
MAPT P10636 2/20 0.61
TP53 P04637 1/20 0.61
SCN9A Q15858 1/20 0.60
TACR1 P25103 2/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
REN P00797 1/20 0.57

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
SCHEMBL27902200 1.00 CTSL (0.66) CTSLCTSSCTSKACECCKBR
SCHEMBL30597946 0.96 CTSL (0.69) CTSLCTSSCTSKACECCKBR
SCHEMBL27902245 0.92 CTSL (0.76) CTSLCTSSCTSKACECCKBR
SCHEMBL27871524 0.92 CTSL (0.76) CTSLCTSSCTSKACECCKBR
SCHEMBL28043450 0.92 TACR1 (0.66) CTSLCTSSCTSKACECCKBR
SCHEMBL27885283 0.91 ACE (0.66) CTSLCTSSCTSKACECCKBR
SCHEMBL645235 0.91 ACE (0.66) CTSLCTSSCTSKACECCKBR
SCHEMBL27885284 0.91 ACE (0.66) CTSLCTSSCTSKACECCKBR
SCHEMBL31396312 0.91 CTSL (0.66) CTSLCTSSCTSKACECCKBR
SCHEMBL1486167 0.90 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