Sugi Predict

Sugi Predict / Compounds / SCHEMBL9527628

SCHEMBL9527628

SCHEMBL9527628

CCOC(=O)C(CCC1Cc2ccccc2C1)NC1CSC(c2cccc3ccccc23)CN(CC(=O)O)C1=O

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 6/20 0.45
▸ ABCB11 O95342 1/20 0.45
▸ AGTR2 P50052 1/20 0.45
▸ PDE3A Q14432 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44

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
SCHEMBL9526007 0.91 ACE (0.43) ACEABCB11AGTR2PDE3ATDP1
SCHEMBL9527641 0.91 ACE (0.51) ACEABCB11AGTR2PDE3ATDP1
SCHEMBL9526430 0.91 ACE (0.51) ACE
SCHEMBL9527070 0.88 ACE (0.48) ACEABCB11AGTR2PDE3ATDP1
SCHEMBL9526563 0.88 ACE (0.41) ACEABCB11AGTR2PDE3ATDP1
SCHEMBL9526486 0.86 ACE (0.45) ACEABCB11AGTR2PDE3ATDP1
SCHEMBL9526284 0.85 ACE (0.45) ACEABCB11AGTR2PDE3ATDP1
SCHEMBL10378589 0.85 ACE (0.47) ACEABCB11AGTR2PDE3ATDP1
SCHEMBL9530659 0.84 ACE (0.48) ACE
SCHEMBL9526291 0.84 ACE (0.46) ACE

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-0365045-B1 Perhydrothiazepine derivatives, their preparation and their therapeutic use SANKYO CO (JP) 1993-12-01 — — EP disclosed
US-4699905-A HYPOTENSIVE AGENTS SANKYO COMPANY, LIMITED (JP) 1987-10-13 — — US disclosed