SCHEMBL8964028

SCHEMBL8964028

COc1cccc(C[C@H](NC(C)=O)C(=O)O)c1OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BCHE P06276 12/20 0.55
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
MME P08473 1/20 0.54
ACE P12821 1/20 0.54
CPA1 P15085 1/20 0.54
ACE2 Q9BYF1 1/20 0.54
ALDH1A1 P00352 1/20 0.53
GAA P10253 1/20 0.53
KDM4E B2RXH2 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
PTGER4 P35408 1/20 0.50
PTGER3 P43115 1/20 0.50
PTGER2 P43116 1/20 0.50
OPRK1 P41145 1/20 0.47
LMNA P02545 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
SCHEMBL8964021 1.00 BCHE (0.55) BCHEMEN1KMT2AMMEACE
SCHEMBL10072207 0.88 BCHE (0.57) BCHEMEN1KMT2AMMEACE
SCHEMBL8873555 0.87 MME (0.56) BCHEMEN1KMT2AMMEACE
SCHEMBL8875179 0.87 MME (0.56) BCHEMEN1KMT2AMMEACE
SCHEMBL8873722 0.87 MME (0.56) BCHEMEN1KMT2AMMEACE
SCHEMBL23780715 0.86 PPARA (0.53) BCHEMEN1KMT2AMMEACE
SCHEMBL8873763 0.86 BCHE (0.50) BCHEMEN1KMT2AMMEACE
SCHEMBL19155424 0.86 PPARA (0.53) BCHEMEN1KMT2AMMEACE
SCHEMBL8873759 0.86 BCHE (0.50) BCHEMEN1KMT2AMMEACE
SCHEMBL8875036 0.84 HRH4 (0.58) BCHEMEN1KMT2AMMEACE

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