SCHEMBL5234641

SCHEMBL5234641

COC(=O)c1ccccc1-c1ccccn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 5/20 0.55
SLC6A4 P31645 3/20 0.55
GRM5 P41594 1/20 0.55
SLC6A2 P23975 1/20 0.53
TDP1 Q9NUW8 1/20 0.51
AXL P30530 1/20 0.51
KDM4E B2RXH2 3/20 0.50
POLB P06746 1/20 0.50
ATM Q13315 1/20 0.50
LMNA P02545 2/20 0.49
TSHR P16473 1/20 0.49
GABRG2 P18507 1/20 0.48
GABRB3 P28472 1/20 0.48
GABRA3 P34903 1/20 0.48
KMT2A Q03164 1/20 0.48
HSD17B10 Q99714 3/20 0.47
ALDH1A1 P00352 2/20 0.47
CFTR P13569 1/20 0.47
ALOX15 P16050 1/20 0.47
PKM P14618 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
SCHEMBL29694130 1.00 SLC6A3 (0.55) SLC6A3SLC6A4GRM5SLC6A2TDP1
SCHEMBL3551797 0.86 SLC6A3 (0.52) SLC6A3SLC6A4GRM5SLC6A2TDP1
SCHEMBL28199188 0.86 GRM5 (0.50) SLC6A3SLC6A4GRM5SLC6A2TDP1
SCHEMBL11460078 0.84 ALDH1A1 (0.50) SLC6A3SLC6A4GRM5SLC6A2AXL
SCHEMBL9955328 0.83 CYP46A1 (0.63) GRM5TDP1AXLKDM4EGABRG2
SCHEMBL1586163 0.83 SLC6A3 (0.54) SLC6A3SLC6A4GRM5SLC6A2TDP1
SCHEMBL30336285 0.83 KMT2A (0.55) SLC6A3SLC6A4GRM5SLC6A2TDP1
SCHEMBL29279278 0.83 KMT2A (0.55) SLC6A3SLC6A4GRM5SLC6A2TDP1
SCHEMBL7643679 0.83 TSHR (0.59) KDM4ELMNATSHRKMT2AHSD17B10
SCHEMBL14841044 0.83 SLC6A3 (0.51) SLC6A3SLC6A4SLC6A2TDP1KDM4E

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113979955-A Preparation method of heterocyclic ester compound 河南农业大学 2022-01-28 CN disclosed
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-0811008-B1 BICYCLIC BENZAZEPINE DERIVATIVES AS VASOPRESSIN ANTAGONISTS WYETH CORP (US) 2003-10-01 EP disclosed
CN-1280561-A Amidocarboxylic acid derivatives SANKYO CO (JP) 2001-01-17 CN 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
CN-1198746-A Tricyclic benzazepine * vasopressin antagonists AMERICAN CYANAMID CO (US) 1998-11-11 CN 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-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
EP-0752989-A1 THIAZOLYLPYRAZOLINONES AND THEIR USE FOR PROTECTING TECHNICAL MATERIALS BAYER AG (DE) 1997-01-15 EP 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-1996022294-A1 BICYCLIC BENZAZEPINE DERIVATIVES AS 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