SCHEMBL6270879

SCHEMBL6270879

O=C(CO)N[C@@H](C(=O)NCCNC(=O)Nc1ncccn1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
CASR P41180 3/20 0.38
TACR1 P25103 1/20 0.38
TACR3 P29371 1/20 0.38
GPR88 Q9GZN0 2/20 0.37
TP53 P04637 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
EPHX2 P34913 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
SCHEMBL1362496 0.91 GAA (0.39) GAACASRTACR1TACR3GPR88
SCHEMBL6266202 0.88 SMN1; SMN2 (0.51) GAAHTTSMN1; SMN2
SCHEMBL6156983 0.79 CYP3A4 (0.48) TACR1TACR3
SCHEMBL1361676 0.79 SMN1; SMN2 (0.51) GAAHTTSMN1; SMN2
SCHEMBL6157147 0.77 TACR1 (0.55) TACR1TACR3GPR88
SCHEMBL6617401 0.77 ACE (0.46)
SCHEMBL2945636 0.74 MME (0.48)
SCHEMBL5741003 0.74 CNR1 (0.39) TACR1TACR3
SCHEMBL6156432 0.71 MMP1 (0.45)
SCHEMBL6156498 0.71 CTSS (0.41) TACR1TACR3

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
EP-1597245-A1 BENZOTHIAZEPINE AND BENZOTHIEPINE DERIVATIVES AstraZeneca AB (SE) 2005-11-23 EP disclosed
WO-2004076430-A1 BENZOTHIAZEPINE AND BENZOTHIEPINE DERIVATIVES ASTRAZENECA AB (SE) 2004-09-10 WO disclosed