SCHEMBL433767

SCHEMBL433767

COc1ccc2c(c1OCc1ccccc1)CC(C(=O)O)NC2

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 15/20 0.56
AGTR1 P30556 2/20 0.56

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
SCHEMBL421422 1.00 AGTR2 (0.56) AGTR2AGTR1
Hydrochloric Acid SCHEMBL23780714 0.99 AGTR2 (0.55) AGTR2AGTR1
Hydrochloric Acid SCHEMBL23780713 0.99 AGTR2 (0.55) AGTR2AGTR1
SCHEMBL21602377 0.91 AGTR2 (0.52) AGTR2AGTR1
Hydrochloric Acid SCHEMBL29758873 0.90 AGTR2 (0.51) AGTR2AGTR1
Hydrochloric Acid SCHEMBL28510044 0.90 AGTR2 (0.51) AGTR2AGTR1
Hydrochloric Acid SCHEMBL28510043 0.90 AGTR2 (0.51) AGTR2AGTR1
SCHEMBL8964420 0.89 AGTR2 (0.57) AGTR2AGTR1
SCHEMBL8964415 0.89 AGTR2 (0.57) AGTR2AGTR1
SCHEMBL21881185 0.89 AGTR2 (0.59) AGTR2AGTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018172950-A1 ANHYDROUS CRYSTALLINE FORMS OF SODIUM (S)-2-(DIPHENYLACETYL)-1,2,3,4-TETRAHYDRO-6-METHOXY-5-(PHENYLMETHOXY)-3-ISOQUINOLINECARBOXYLATE NOVARTIS AG (CH) 2018-09-27 WO claimed
US-5489686-A CARDIOVASCULAR DISORDER, NERVOUS SYSTEM DISORDER, ANTIDIURETIC , PSYCHLOGICAL DISORDER, ANTIDEPRESSANTS WARNER-LAMBERT COMPANY (US) 1996-02-06 US claimed
EP-0641326-A1 SUBSTITUTED 1,2,3,4-TETRAHYDROISOQUINOLINES WITH ANGIOTENSIN II RECEPTOR ANTAGONIST PROPERTIES WARNER-LAMBERT COMPANY (US) 1995-03-08 EP claimed
WO-1993023378-A1 SUBSTITUTED 1,2,3,4-TETRAHYDROISOQUINOLINES WITH ANGIOTENSIN II RECEPTOR ANTAGONIST PROPERTIES WARNER-LAMBERT COMPANY (US) 1993-11-25 WO claimed
WO-2020012266-A1 BIOCATALYTIC SYNTHESIS OF OLODANRIGAN (EMA401) FROM 3-(2-(BENZYLOXY)-3-METHOXYPHENYL)PROPENOIC ACID WITH PHENYLALANINE AMMONIA LYASE NOVARTIS AG (CH) 2020-01-16 WO disclosed
WO-2020012266-A1 BIOCATALYTIC SYNTHESIS OF OLODANRIGAN (EMA401) FROM 3-(2-(BENZYLOXY)-3-METHOXYPHENYL)PROPENOIC ACID WITH PHENYLALANINE AMMONIA LYASE NOVARTIS AG (CH) 2020-01-16 WO disclosed
WO-2019242599-A1 TETRAHYDRO ISOQUINOLINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF 浙江海正药业股份有限公司 2019-12-26 WO disclosed
WO-2018172950-A1 ANHYDROUS CRYSTALLINE FORMS OF SODIUM (S)-2-(DIPHENYLACETYL)-1,2,3,4-TETRAHYDRO-6-METHOXY-5-(PHENYLMETHOXY)-3-ISOQUINOLINECARBOXYLATE NOVARTIS AG (CH) 2018-09-27 WO disclosed
EP-2595960-A1 SALT AND SOLVATES OF A TETRAHYDROISOQUINOLINE DERIVATIVE Spinifex Pharmaceuticals Pty Ltd (AU) 2013-05-29 EP disclosed
WO-2012010843-A1 SALT AND SOLVATES OF A TETRAHYDROISOQUINOLINE DERIVATIVE SPINIFEX PHARMACEUTICALS PTY LTD (AU) 2012-01-26 WO disclosed
US-5525614-A TREATING VASCULAR RESTENOSIS, CNS DISORDERS WARNER-LAMBERT COMPANY (US) 1996-06-11 US disclosed
US-5489686-A CARDIOVASCULAR DISORDER, NERVOUS SYSTEM DISORDER, ANTIDIURETIC , PSYCHLOGICAL DISORDER, ANTIDEPRESSANTS WARNER-LAMBERT COMPANY (US) 1996-02-06 US disclosed
EP-0641326-A1 SUBSTITUTED 1,2,3,4-TETRAHYDROISOQUINOLINES WITH ANGIOTENSIN II RECEPTOR ANTAGONIST PROPERTIES WARNER-LAMBERT COMPANY (US) 1995-03-08 EP disclosed
US-5350757-A Treatment of vascular restenosis, nervous system disorders and cognition enhancement WARNER-LAMBERT COMPANY (US) 1994-09-27 US disclosed
WO-1993023378-A1 SUBSTITUTED 1,2,3,4-TETRAHYDROISOQUINOLINES WITH ANGIOTENSIN II RECEPTOR ANTAGONIST PROPERTIES WARNER-LAMBERT COMPANY (US) 1993-11-25 WO disclosed
US-5246943-A Substituted 1,2,3,4-tetahydroisoquinolines with angiotensin II receptor antagonist properties WARNER-LAMBERT COMPANY (US) 1993-09-21 US disclosed