SCHEMBL5316685

SCHEMBL5316685

COC(=O)c1ccc(NC(=O)c2ccccc2-c2ccccc2)c(OC)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.59
PYGL P06737 1/20 0.58
AVPR1A P37288 2/20 0.58
AVPR1B P47901 2/20 0.58
ALDH1A1 P00352 3/20 0.57
LMNA P02545 3/20 0.57
MAPT P10636 3/20 0.57
KDM4E B2RXH2 2/20 0.57
GAA P10253 2/20 0.53
POLB P06746 2/20 0.53
MTTP P55157 4/20 0.53
AVPR2 P30518 2/20 0.53
KMT2A Q03164 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
MEN1 O00255 1/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CHEK1 O14757 1/20 0.51
PIM1 P11309 1/20 0.51

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 0.91 LMNA (0.60) HTTPYGLAVPR1AAVPR1BALDH1A1
SCHEMBL5235657 0.89 HTT (0.58) HTTPYGLAVPR1AAVPR1BALDH1A1
Benzene SCHEMBL7447284 0.85 ALDH1A1 (0.70) PYGLALDH1A1LMNAMAPTKDM4E
SCHEMBL34475117 0.84 HTT (0.60) HTTAVPR1AAVPR1BALDH1A1LMNA
SCHEMBL7343390 0.84 KMT2A (0.72) HTTPYGLALDH1A1LMNAMAPT
SCHEMBL7337275 0.82 HTT (0.58) HTTAVPR1AAVPR1BALDH1A1LMNA
SCHEMBL31222697 0.81 EGFR (0.61) PYGLALDH1A1LMNAMAPTKMT2A
SCHEMBL8613138 0.81 MTTP (0.68) PYGLALDH1A1LMNAMTTPKMT2A
SCHEMBL7344448 0.81 PYGL (0.58) PYGLALDH1A1LMNAMAPTGAA
SCHEMBL34475108 0.80 KCNMA1 (0.73) HTTALDH1A1LMNAMAPTKDM4E

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 11 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
US-5849735-A Tricyclic benzazepine vasopressin antagonists AMERICAN CYANAMID COMPANY (US) 1998-12-15 US 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
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
WO-1996022282-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