SCHEMBL4267152

SCHEMBL4267152

C[C@](N)([C]=O)c1ccc2ccccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.43
CASR P41180 1/20 0.41
CYP3A4 P08684 3/20 0.38
CYP2D6 P10635 2/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
KCNH2 Q12809 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 1/20 0.38
CYP2A6 P11509 3/20 0.38
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KIF11 P52732 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 2/20 0.35
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34

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
SCHEMBL10857572 0.81 PTPN1 (0.46) PTPN1CASRCYP3A4CYP2D6SLC6A2
SCHEMBL9274665 0.78 CASR (0.46) PTPN1CASRCYP3A4CYP2D6SLC6A2
Hydrochloric Acid SCHEMBL12802175 0.76 CASR (0.45) PTPN1CASRCYP3A4CYP2D6SLC6A2
SCHEMBL10483069 0.76 KCNN4 (0.46) CYP3A4CYP2D6SLC6A2CA1CA2
SCHEMBL6846285 0.76 CASR (0.45) PTPN1CASRCYP3A4CYP2D6SLC6A2
SCHEMBL3984307 0.75 CASR (0.44) PTPN1CASRCYP3A4CYP2D6SLC6A2
SCHEMBL3983284 0.75 CASR (0.44) PTPN1CASRCYP3A4CYP2D6SLC6A2
SCHEMBL27508894 0.75 CASR (0.51) PTPN1CASRCYP3A4CYP2D6SLC6A2
SCHEMBL4069694 0.75 CASR (0.44) PTPN1CASRCYP3A4CYP2D6SLC6A2
SCHEMBL599567 0.73 PTPN1 (0.48) PTPN1CASRCYP3A4CYP2D6SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090081274-A1 MAST CELL-DERIVED RENIN CORNELL RESEARCH FOUNDATION, INC. (US) 2009-03-26 US disclosed
US-20080032918-A1 Gene expression or biosynthesis inhibition by locally administering inhibitors of angiotensin-converting enzyme, angiotensin type 1 receptors, or sodium-hydrogen exchange type-1 proteins; antiinflammatory agents, myocardial antiischemic agents, anaphylaxis; sustained release implants, stents, inhalers CORNELL RESEARCH FOUNDATION, INC. 2008-02-07 US disclosed
US-20050209141-A1 Mast cell-derived renin NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-09-22 US disclosed
US-5688770-A RENIN INHIBITOR AND BETA ADRENERGIC BLOCKING AGENT SCHERING CORPORATION (US) 1997-11-18 US disclosed
US-5352666-A Using a renin inhibitor SCHERING CORPORATION (US) 1994-10-04 US disclosed
US-4906613-A Antiglaucoma compositions and methods SCHERING CORPORATION (US) 1990-03-06 US disclosed
EP-0243477-A1 RENIN INHIBITORS AND METHODS FOR USING SAME SCHERING CORPORATION (US) 1987-11-04 EP disclosed
WO-1987002581-A1 RENIN INHIBITORS AND METHODS FOR USING SAME SCHERING CORPORATION (US) 1987-05-07 WO disclosed