SCHEMBL6558237

SCHEMBL6558237

CC(NC(=O)OCc1ccccc1)c1ccc(C(=O)Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.57
CYP3A4 P08684 10/20 0.57
TSHR P16473 7/20 0.57
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
ACHE P22303 1/20 0.53
ALDH1A1 P00352 4/20 0.50
MEN1 O00255 2/20 0.50
LMNA P02545 2/20 0.50
KMT2A Q03164 2/20 0.50
TP53 P04637 1/20 0.50
MAPT P10636 1/20 0.49
KLK8 O60259 1/20 0.49
F2 P00734 1/20 0.49
F10 P00742 1/20 0.49
PLG P00747 1/20 0.49
PLAU P00749 1/20 0.49
PLAT P00750 1/20 0.49
KLK4 Q9Y5K2 1/20 0.49
KLK1 P06870 1/20 0.49

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
SCHEMBL2853604 1.00 ATM (0.57) ATMCYP3A4TSHRCA1CA2
SCHEMBL4444864 0.89 ATM (0.60) ATMCYP3A4TSHRCA1CA2
SCHEMBL2851564 0.89 ATM (0.60) ATMCYP3A4TSHRCA1CA2
SCHEMBL2851560 0.89 ATM (0.60) ATMCYP3A4TSHRCA1CA2
Hydrochloric Acid SCHEMBL2853610 0.88 ATM (0.59) ATMCYP3A4TSHRCA1CA2
Hydrochloric Acid SCHEMBL2853606 0.88 ATM (0.59) ATMCYP3A4TSHRCA1CA2
SCHEMBL8530402 0.87 ATM (0.68) ATMCYP3A4TSHRALDH1A1MEN1
SCHEMBL21469067 0.87 ATM (0.68) ATMCYP3A4TSHRALDH1A1MEN1
SCHEMBL30460502 0.87 ATM (0.68) ATMCYP3A4TSHRALDH1A1MEN1
SCHEMBL21399728 0.87 CYP3A4 (0.64) ATMCYP3A4TSHRALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1391454-B1 Substituted benzamide compounds with antihypertensive activity MITSUBISHI TANABE PHARMA CORP (JP) 2012-05-30 EP disclosed
EP-1391454-A1 Substituted benzamide compounds with antihypertensive activity Mitsubishi Pharma Corporation (JP) 2004-02-25 EP disclosed
EP-0757038-B1 BENZAMIDE COMPOUND AND MEDICINAL USE THEREOF MITSUBISHI PHARMA CORP (JP) 2003-11-26 EP disclosed
EP-1195372-A1 N-heterocyclic substituted benzamide derivatives with antihypertensive activity Mitsubishi Pharma Corporation (JP) 2002-04-10 EP disclosed
US-6156766-A Benzamide compounds and pharmaceutical use thereof YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2000-12-05 US disclosed
US-5958944-A TREATMENT OF CIRCULATORY DISEASES IN CORONARY, CEREBRAL, RENAL AND PERIPHERAL ARTERIES, AS A THERAPEUTIC AGENT FOR HYPERTENSION, ANGINA PECTORIS, AND RENAL AND PERIPHERAL CIRCULATION DISORDER, ANTIASTHMATIC AGENT YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1999-09-28 US disclosed
EP-0757038-A1 BENZAMIDE COMPOUND AND MEDICINAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-02-05 EP disclosed