SCHEMBL6158939

SCHEMBL6158939

NC(=O)N(CCNC(=O)[C@H](NC(=O)C[O])c1ccccc1)c1ccccn1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.38
PRSS1 P07477 2/20 0.38
GPR88 Q9GZN0 1/20 0.37
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
GAA P10253 1/20 0.35
NPY1R P25929 1/20 0.35
EPHX2 P34913 1/20 0.35
TACR1 P25103 1/20 0.35
TACR3 P29371 1/20 0.35
POLB P06746 1/20 0.34
F2 P00734 1/20 0.34

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
SCHEMBL6158896 0.90 GPR88 (0.39) F10PRSS1GPR88TP53NPY1R
SCHEMBL6158915 0.84 GPR88 (0.35) F10PRSS1GPR88TACR1TACR3
SCHEMBL1362522 0.74 TACR1 (0.55) F10PRSS1GPR88TACR1TACR3
SCHEMBL1361676 0.74 SMN1; SMN2 (0.51) GAAPOLB
SCHEMBL1362496 0.73 GAA (0.39) GPR88TP53GAATACR1TACR3
SCHEMBL6158933 0.73 KCNA5 (0.38)
SCHEMBL1362244 0.73 CYP3A4 (0.47) F10PRSS1TSHRTACR1TACR3
SCHEMBL6617399 0.72 ACE (0.46)
SCHEMBL1362526 0.72 CTSS (0.41) F10PRSS1F2
SCHEMBL1363693 0.70 PARP10 (0.52) GPR88POLB

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 4 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
EP-1501813-A2 BENZOTHIADIAZEPINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Astrazeneca AB (SE) 2005-02-02 EP disclosed
WO-2004076430-A1 BENZOTHIAZEPINE AND BENZOTHIEPINE DERIVATIVES ASTRAZENECA AB (SE) 2004-09-10 WO disclosed
WO-2003091232-A2 BENZOTHIADIAZEPINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ASTRAZENECA AB (SE) 2003-11-06 WO disclosed