SCHEMBL6677809

SCHEMBL6677809

O=C(O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12

nearest known ligand 0.81

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.63
TDP1 Q9NUW8 1/20 0.59
HRH4 Q9H3N8 1/20 0.55
CYP1A2 P05177 2/20 0.52
SLC1A3 P43003 1/20 0.51
SLC1A2 P43004 1/20 0.51
SLC1A1 P43005 1/20 0.51
MME P08473 2/20 0.50
ACE P12821 2/20 0.50
CPA1 P15085 1/20 0.50
ACE2 Q9BYF1 1/20 0.50
ACP3 P15309 1/20 0.49
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL3814684 0.93 CTNNB1 (0.56) CTNNB1TDP1HRH4CYP1A2SLC1A3
SCHEMBL7352579 0.93 CYP1A2 (0.65) CTNNB1TDP1HRH4CYP1A2SLC1A3
SCHEMBL7267021 0.91 CTNNB1 (0.58) CTNNB1TDP1HRH4CYP1A2SLC1A3
SCHEMBL7287691 0.91 CTNNB1 (0.58) CTNNB1TDP1HRH4CYP1A2SLC1A3
SCHEMBL7268294 0.91 CTNNB1 (0.58) CTNNB1TDP1HRH4CYP1A2SLC1A3
SCHEMBL4620167 0.90 CTNNB1 (0.56) CTNNB1TDP1HRH4CYP1A2SLC1A3
SCHEMBL6444456 0.90 CTNNB1 (0.56) CTNNB1TDP1HRH4CYP1A2SLC1A3
SCHEMBL7429100 0.90 CPA1 (0.57) CTNNB1TDP1HRH4CYP1A2SLC1A3
SCHEMBL9194477 0.90 CPA1 (0.57) CTNNB1TDP1HRH4CYP1A2SLC1A3
SCHEMBL10338654 0.90 CPA1 (0.57) CTNNB1TDP1HRH4CYP1A2SLC1A3

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0275480-A2 Renin inhibitors IV WARNER-LAMBERT COMPANY (US) 1988-07-27 EP claimed
EP-0736036-B1 KININOGEN INHIBITORS FERRING BV (NL) 2004-10-13 EP disclosed
US-6008372-A ANTICARCINOGENIC, ANTIRESTENOSIS AND ANTIPSORIASIS AGENT WARNER-LAMBERT COMPANY (US) 1999-12-28 US disclosed
US-5844078-A Phenyl peptides, method for preparing same, and pharmaceutical compositions containing said peptides LABORATORIE LAPHAL (FR) 1998-12-01 US disclosed
WO-1997026246-A1 SUBSTITUTED HISTIDINE INHIBITORS OF PROTEIN FARNESYLTRANSFERASE WARNER-LAMBERT COMPANY (US) 1997-07-24 WO disclosed
US-5610177-A Acylated amino acids as endothelin antagonists WARNER-LAMBERT COMPANY (US) 1997-03-11 US disclosed
EP-0736036-A1 KININOGEN INHIBITORS FERRING B.V. (NL) 1996-10-09 EP disclosed
WO-1995007291-A1 KININOGEN INHIBITORS FERRING B.V. (NL) 1995-03-16 WO disclosed
US-5360791-A Renin-inhibiting aminodiol derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1994-11-01 US disclosed
EP-0370454-B1 Renin-inhibiting amino diol derivatives HOECHST AG (DE) 1994-04-20 EP disclosed
WO-1989003820-A1 BRANCHED BACKBONE RENIN INHIBITORS WARNER-LAMBERT COMPANY (US) 1989-05-05 WO disclosed
EP-0309841-A2 Amino acid derivatives MERCK PATENT GmbH (DE) 1989-04-05 EP disclosed
US-4804743-A HYPOTENSIVE AGENTS, ANTIALDOSTERONES Warner-Lambert Copmany (US) 1989-02-14 US disclosed
EP-0275480-A2 Renin inhibitors IV WARNER-LAMBERT COMPANY (US) 1988-07-27 EP disclosed
EP-0271862-A2 Renin inhibitors III WARNER-LAMBERT COMPANY (US) 1988-06-22 EP disclosed
US-4735933-A HYPOTENSIVE WARNER-LAMBERT COMPANY (US) 1988-04-05 US disclosed
EP-0255082-A2 Renin-inhibiting di- and tripeptides, methods for their production, drugs containing them, and their use HOECHST AKTIENGESELLSCHAFT (DE) 1988-02-03 EP disclosed
EP-0252727-A1 Novel amino acid derivatives Kissei Pharmaceutical Co. Ltd. (JP) 1988-01-13 EP disclosed
EP-0228192-A2 Renin-inhibitory oligopeptides, their preparation and use SANKYO COMPANY LIMITED (JP) 1987-07-08 EP disclosed
EP-0186977-A2 Renin-inhibitory dipeptides, their preparation and use SANKYO COMPANY LIMITED (JP) 1986-07-09 EP disclosed