SCHEMBL8964415

SCHEMBL8964415

COc1ccc2c(c1OCCc1ccccc1)CC(C(=O)O)NC2

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 10/20 0.57
AGTR1 P30556 2/20 0.45
SCN9A Q15858 1/20 0.42
PDE4D Q08499 1/20 0.41

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
SCHEMBL8964420 1.00 AGTR2 (0.57) AGTR2AGTR1SCN9APDE4D
SCHEMBL421422 0.89 AGTR2 (0.56) AGTR2AGTR1
SCHEMBL433767 0.89 AGTR2 (0.56) AGTR2AGTR1
SCHEMBL21881389 0.89 AGTR2 (0.51) AGTR2AGTR1SCN9APDE4D
Hydrochloric Acid SCHEMBL23780714 0.88 AGTR2 (0.55) AGTR2AGTR1
Hydrochloric Acid SCHEMBL23780713 0.88 AGTR2 (0.55) AGTR2AGTR1
SCHEMBL10072201 0.86 CNR2 (0.43) AGTR2AGTR1
SCHEMBL21602377 0.81 AGTR2 (0.52) AGTR2AGTR1
Hydrochloric Acid SCHEMBL28510044 0.80 AGTR2 (0.51) AGTR2AGTR1
Hydrochloric Acid SCHEMBL29758873 0.80 AGTR2 (0.51) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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