SCHEMBL5235657

SCHEMBL5235657

COc1cc(C(=O)Cl)ccc1NC(=O)c1ccccc1-c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.58
AVPR1A P37288 2/20 0.57
AVPR1B P47901 2/20 0.57
ALDH1A1 P00352 3/20 0.56
LMNA P02545 3/20 0.56
KDM4E B2RXH2 2/20 0.56
MAPT P10636 2/20 0.56
KMT2A Q03164 2/20 0.55
MTTP P55157 6/20 0.52
AVPR2 P30518 2/20 0.52
POLB P06746 2/20 0.52
GAA P10253 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
PYGL P06737 1/20 0.52
MEN1 O00255 1/20 0.50

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
SCHEMBL5740948 0.90 LMNA (0.60) HTTAVPR1AAVPR1BALDH1A1LMNA
SCHEMBL5316685 0.89 HTT (0.59) HTTAVPR1AAVPR1BALDH1A1LMNA
SCHEMBL8610735 0.88 MTTP (0.65) ALDH1A1MAPTKMT2AMTTPGAA
SCHEMBL34475117 0.83 HTT (0.60) HTTAVPR1AAVPR1BALDH1A1LMNA
SCHEMBL7337275 0.81 HTT (0.58) HTTAVPR1AAVPR1BALDH1A1LMNA
SCHEMBL5237479 0.81 ALDH1A1 (0.55) HTTALDH1A1LMNAMAPTKMT2A
SCHEMBL20350806 0.80 MKNK1 (0.52) AVPR1AALDH1A1LMNAKMT2AAVPR2
SCHEMBL8613138 0.80 MTTP (0.68) ALDH1A1LMNAKMT2AMTTPPYGL
SCHEMBL34475108 0.79 KCNMA1 (0.73) HTTALDH1A1LMNAKDM4EMAPT
SCHEMBL7372454 0.78 KCNMA1 (0.48) HTTAVPR1AAVPR1BALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0804440-B1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS WYETH CORP (US) 2007-12-19 EP disclosed
EP-0804438-B1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS WYETH CORP (US) 2006-03-15 EP disclosed
EP-0915876-A1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS American Cyanamid Company (US) 1999-05-19 EP disclosed
US-5849735-A Tricyclic benzazepine vasopressin antagonists AMERICAN CYANAMID COMPANY (US) 1998-12-15 US disclosed
WO-1997049708-A9 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS 1998-05-22 WO disclosed
US-5753648-A THREATING DISEASES CAUSED BY RENAL REABSORPTION OF WATER AMERICAN CYANAMID COMPANY (US) 1998-05-19 US disclosed
US-5719278-A TREATING EXCESS RENAL REABSORPTION OF WATER AMERICAN CYANAMID COMPANY (US) 1998-02-17 US disclosed
WO-1997049708-A1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS AMERICAN CYANAMID COMPANY (US) 1997-12-31 WO disclosed
WO-1997049707-A1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS AMERICAN CYANAMID COMPANY (US) 1997-12-31 WO disclosed
US-5700796-A USEFUL FOR TREATING CONGESTIVE HEART FAILURE, DISEASE CONDITIONS WITH EXCESS RENAL WATER REABSORPTION AND CONDITIONS WITH INCREASED VASULAR RESISTANCE AND CORONARY VASOCONSTRICTION AMERICAN CYANAMID COMPANY (US) 1997-12-23 US disclosed
US-5612334-A Tricyclic benzazepine vasopressin antagonists AMERICAN CYANAMID COMPANY (US) 1997-03-18 US disclosed
US-5610156-A USED IN TREATING DISEASES CHARACTERIZED BY EXCESS RENAL REABSORPTION OF WATER AMERICAN CYANAMID COMPANY (US) 1997-03-11 US disclosed
WO-1996022293-A1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS AMERICAN CYANAMID COMPANY (US) 1996-07-25 WO disclosed
US-5536718-A Tricyclic benzazepine vasopressin antagonists AMERICAN CYANAMID COMPANY (US) 1996-07-16 US disclosed
US-5532235-A TO TREAT EXCESS RENAL REABSORPTION AMERICAN CYANAMID COMPANY (US) 1996-07-02 US disclosed