SCHEMBL6959618

SCHEMBL6959618

O=C(c1ccc([N+](=O)[O-])cc1)N1CCCCc2ccccc21

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 10/20 0.68
AVPR1A P37288 8/20 0.68
OXTR P30559 4/20 0.68
MAPT P10636 2/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
PDE4B Q07343 1/20 0.65
PDE4D Q08499 1/20 0.65
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
USP2 O75604 1/20 0.65
ALDH1A1 P00352 1/20 0.65
LMNA P02545 1/20 0.65
POLB P06746 1/20 0.65
GAA P10253 1/20 0.65
HTT P42858 1/20 0.65
TDP1 Q9NUW8 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.65

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
SCHEMBL7351070 0.99 AVPR2 (0.67) AVPR2AVPR1AOXTRMAPTSMN1; SMN2
SCHEMBL7352388 0.96 ALDH1A1 (0.69) AVPR2AVPR1AOXTRMAPTSMN1; SMN2
SCHEMBL6968459 0.86 BCHE (0.56) MAPTSMN1; SMN2PDE4BPDE4DMEN1
SCHEMBL7345718 0.85 ALDH1A1 (0.49) AVPR2AVPR1AOXTRMAPTSMN1; SMN2
SCHEMBL27320549 0.85 MAPT (0.57) AVPR2AVPR1AOXTRMAPTSMN1; SMN2
SCHEMBL7348971 0.83 HPGD (0.55) AVPR2AVPR1AMAPTSMN1; SMN2PDE4B
SCHEMBL27318178 0.83 MEN1 (0.56) AVPR2AVPR1AOXTRMAPTSMN1; SMN2
SCHEMBL8819776 0.82 L3MBTL1 (0.55) MAPTSMN1; SMN2PDE4BPDE4DMEN1
SCHEMBL7352861 0.82 PDE4B (0.69) MAPTSMN1; SMN2PDE4BMEN1KMT2A
SCHEMBL7353861 0.82 AVPR1A (0.61) AVPR2AVPR1AOXTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0620216-B1 Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO (JP) 2003-01-08 EP disclosed
US-5985869-A USEFUL AS VASODILATORS, HYPOTENSIVE AGENTS, WATER DIURETICS, PLATELET AGGLUTINATION INHIBITORS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1999-11-16 US disclosed
US-5869483-A KIDNEY DISEASES AMERICAN CYANAMID COMPANY (US) 1999-02-09 US disclosed
EP-0640592-B1 N-acylated tricyclic azaheterorings useful as vasopressin antagonists AMERICAN CYANAMID CO (US) 1998-12-30 EP disclosed
US-5854236-A Tricyclic benzazepine vasopressin antagonists AMERICAN CYANAMID COMPANY (US) 1998-12-29 US disclosed
US-5843952-A Tricyclic benzazepine vasopressin antagonists AMERICAN CYANAMID COMPANY (US) 1998-12-01 US disclosed
US-5834461-A TREATING CONGESTIVE HEART FAILURE AMERICAN CYANAMID COMPANY (US) 1998-11-10 US disclosed
US-5786353-A Tricyclic benzazepine vasopressin antagonists AMERICAN CYANAMID COMPANY (US) 1998-07-28 US disclosed
US-5760031-A KIDNEY DISEASES AMERICAN CYANAMID COMPANY (US) 1998-06-02 US disclosed
US-5753677-A Benzoheterocyclic compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-05-19 US disclosed
US-5693635-A TREATMENT OF DISEASES CHARACTERIZED BY EXCESS RENAL ABSORPTION OF WATER; CONGESTIVE HEART FAILURE, NEPHROTIC SYNDROME AMERICAN CYANAMID COMPANY (US) 1997-12-02 US disclosed
US-5686445-A Pyridobenzoxazepine and pyridobenzothiazepine vasopressin antagonists AMERICAN CYANAMID COMPANY (US) 1997-11-11 US disclosed
US-5559230-A VASOPRESSIN ANTAGONISTS, QUINOLINES, BENZAZEPINES, VASODILATION, HYPOTENSIVE AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-09-24 US disclosed
US-5521170-A VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-05-28 US disclosed
US-5512563-A TREATING DISEASES CAUSED BY EXCESS RENAL REABSORPTION OF WATER AMERICAN CYANAMID COMPANY (US) 1996-04-30 US disclosed
EP-0450097-B1 BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMA CO LTD (JP) 1996-04-24 EP disclosed
EP-0640592-A1 N-acylated tricyclic azaheterorings useful as vasopressin antagonists AMERICAN CYANAMID COMPANY (US) 1995-03-01 EP disclosed
EP-0620216-A1 Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-10-19 EP disclosed
EP-0450097-A1 BENZOHETEROCYCLIC COMPOUNDS. OTSUKA PHARMA CO LTD (JP) 1991-10-09 EP disclosed
WO-1991005549-A1 BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-05-02 WO disclosed