SCHEMBL9428006

SCHEMBL9428006

CCCc1cc(COC)nn1Cc1ccc(-c2ccccc2C(=O)OC)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.49
AGTR2 P50052 2/20 0.49
ACHE P22303 1/20 0.47
SLC6A3 Q01959 3/20 0.46
SLC6A4 P31645 2/20 0.46
PPARG P37231 1/20 0.46
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
NCOR2 Q9Y618 1/20 0.45
LTB4R2 Q9NPC1 1/20 0.43
BRS3 P32247 1/20 0.42

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
SCHEMBL9428305 0.94 AGTR1 (0.54) AGTR1AGTR2ACHELTB4R2
SCHEMBL9427557 0.92 AGTR1 (0.49) AGTR1AGTR2ACHESLC6A3SLC6A4
SCHEMBL9427961 0.92 AGTR1 (0.51) AGTR1AGTR2ACHESLC6A3SLC6A4
SCHEMBL9427972 0.91 PPARG (0.57) AGTR1AGTR2PPARG
SCHEMBL9427632 0.88 AGTR1 (0.54) AGTR1AGTR2ACHELTB4R2
SCHEMBL9428154 0.88 AGTR1 (0.51) AGTR1AGTR2ACHESLC6A3SLC6A4
SCHEMBL9427527 0.85 AGTR1 (0.49) AGTR1AGTR2ACHESLC6A3SLC6A4
SCHEMBL7049483 0.85 AGTR1 (0.58) AGTR1AGTR2
SCHEMBL9427496 0.85 AGTR1 (0.49) AGTR1AGTR2ACHESLC6A3SLC6A4
SCHEMBL9427421 0.83 PPARG (0.54) AGTR1AGTR2PPARG

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5315013-A Hypotensive E. I. DU PONT DE NEMOURS AND COMPANY (US) 1994-05-24 US disclosed
EP-0323841-B1 SUBSTITUTED PYRROLE, PYRAZOLE AND TRIAZOLE ANGIOTENSIN II ANTAGONISTS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-08-04 EP disclosed
US-5189048-A Hypotensive agents E. I. DU PONT DE NEMOURS AND COMPANY (US) 1993-02-23 US disclosed
US-5093346-A Hypotensive agents, congestive heart failure E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-03-03 US disclosed
US-5081127-A Hypotensive agents and treatment of congestive heart failure E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-01-14 US disclosed
US-5043349-A Hypotensive agents, treatment of congestive heart failure E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-08-27 US disclosed
US-5015651-A Triazole derivatives for treatment of congestive heart failure E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-05-14 US disclosed
EP-0323841-A2 Substituted pyrrole, pyrazole and triazole angiotensin II antagonists E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-07-12 EP disclosed