SCHEMBL6673376

SCHEMBL6673376

CCCCC1(CCCC)C(=O)[SH]c2cc(OCC(=O)N[C@@H](C(=O)NCC(=O)OC(C)(C)C)c3ccccc3)c(SC)cc2N(c2ccccc2)C1=O

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.43
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
ELANE P08246 1/20 0.31
CTSD P07339 3/20 0.31
GPR88 Q9GZN0 1/20 0.30

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
SCHEMBL6527603 0.93 NR1H4 (0.45) NR1H4ELANECTSD
SCHEMBL4741522 0.90 NR1H4 (0.44) NR1H4ELANECTSD
SCHEMBL4596921 0.89 NR1H4 (0.50) NR1H4ELANECTSD
SCHEMBL4729688 0.89 NR1H4 (0.43) NR1H4ELANECTSD
SCHEMBL5327298 0.89 NR1H4 (0.45) NR1H4ELANECTSD
SCHEMBL4847539 0.88 NR1H4 (0.51) NR1H4ELANECTSD
SCHEMBL4851757 0.88 NR1H4 (0.48) NR1H4ELANECTSD
SCHEMBL6449480 0.87 NR1H4 (0.43) NR1H4ELANECTSD
SCHEMBL5709249 0.87 NR1H4 (0.56) NR1H4ELANECTSD
SCHEMBL4783554 0.87 NR1H4 (0.43) NR1H4ELANECTSDGPR88

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-1430040-A1 BENZOTHIAZEPINE DERIVATIVES Astrazeneca AB (SE) 2004-06-23 EP disclosed
WO-2003020710-A1 BENZOTHIAZEPINE DERIVATIVES ASTRAZENECA AB (SE) 2003-03-13 WO disclosed