SCHEMBL5740948

SCHEMBL5740948

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

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.60
HTT P42858 2/20 0.60
RAB9A P51151 1/20 0.60
PYGL P06737 3/20 0.60
AVPR1A P37288 2/20 0.59
AVPR1B P47901 2/20 0.59
ALDH1A1 P00352 3/20 0.58
KDM4E B2RXH2 2/20 0.58
MAPT P10636 2/20 0.58
CHEK1 O14757 1/20 0.55
PIM1 P11309 1/20 0.55
MAPK8 P45983 1/20 0.55
CLK4 Q9HAZ1 1/20 0.55
KMT2A Q03164 2/20 0.54
GAA P10253 2/20 0.54
POLB P06746 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
MTTP P55157 2/20 0.54
AVPR2 P30518 1/20 0.54

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
SCHEMBL5316685 0.91 HTT (0.59) LMNAHTTRAB9APYGLAVPR1A
SCHEMBL5235657 0.90 HTT (0.58) LMNAHTTPYGLAVPR1AAVPR1B
SCHEMBL8613138 0.89 MTTP (0.68) LMNARAB9APYGLALDH1A1KMT2A
SCHEMBL34475117 0.85 HTT (0.60) LMNAHTTRAB9AAVPR1AAVPR1B
SCHEMBL31586318 0.85 ALDH1A1 (0.72) LMNARAB9APYGLALDH1A1MAPT
SCHEMBL20601619 0.85 ALDH1A1 (0.72) LMNARAB9APYGLALDH1A1MAPT
SCHEMBL20601662 0.84 PYGL (0.82) LMNAHTTRAB9APYGLALDH1A1
SCHEMBL7337275 0.83 HTT (0.58) LMNAHTTRAB9AAVPR1AAVPR1B
SCHEMBL22871355 0.82 RAB9A (0.60) LMNAHTTRAB9APYGLALDH1A1
SCHEMBL34475108 0.81 KCNMA1 (0.73) LMNAHTTALDH1A1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0804438-B1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS WYETH CORP (US) 2006-03-15 EP disclosed
WO-1997049708-A9 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS 1998-05-22 WO disclosed
EP-0804440-A1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS American Cyanamid Company (US) 1997-11-05 EP disclosed
EP-0804438-A1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS American Cyanamid Company (US) 1997-11-05 EP 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-1996022295-A9 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS 1996-11-14 WO disclosed
WO-1996022293-A1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS AMERICAN CYANAMID COMPANY (US) 1996-07-25 WO disclosed
WO-1996022282-A1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS AMERICAN CYANAMID COMPANY (US) 1996-07-25 WO disclosed
WO-1996022295-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