SCHEMBL1658173

SCHEMBL1658173

CC(C)CC(NCC(C(=O)O)c1cncn1Cc1ccc(C#N)cc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 11/20 0.50
CYP11B2 P19099 11/20 0.50
CYP19A1 P11511 1/20 0.46
ACE2 Q9BYF1 4/20 0.44
ACE P12821 3/20 0.44
FNTA P49354 4/20 0.43
FNTB P49356 4/20 0.43

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
SCHEMBL3680172 0.88 ACE2 (0.52) CYP11B1CYP11B2ACE2ACEFNTA
SCHEMBL3715183 0.88 ACE2 (0.47) CYP11B1CYP11B2ACE2ACE
SCHEMBL7382601 0.87 CYP11B1 (0.47) CYP11B1CYP11B2ACE2ACE
SCHEMBL7429450 0.87 ACE2 (0.46) CYP11B1CYP11B2ACE2ACE
SCHEMBL7391523 0.87 ACE2 (0.48) CYP11B1CYP11B2ACE2ACE
SCHEMBL3712455 0.84 MAPT (0.47) CYP11B1CYP11B2ACE2ACE
SCHEMBL1661114 0.84 ACE2 (0.44) CYP11B1CYP11B2ACE2ACE
SCHEMBL1655466 0.84 ACE2 (0.48) CYP11B1CYP11B2ACE2ACE
SCHEMBL7379198 0.83 ACE2 (0.46) CYP19A1ACE2ACEFNTAFNTB
SCHEMBL3712513 0.83 ACE2 (0.45) CYP11B1CYP11B2ACE2ACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2011513491-A 2011-04-28 JP claimed
EP-2262491-A1 THERAPY FOR DISORDERS OF THE PROXIMAL DIGESTIVE TRACT Ore Pharmaceuticals Inc. (US) 2010-12-22 EP claimed
WO-2010093804-A1 ACE2 INHIBITORS FOR REDUCING GASTROINTESTINAL ADVERSE EFFECTS OF CYTOTOXIC AGENTS ORE PHARMACEUTICALS, INC. (US) 2010-08-19 WO claimed
WO-2009114516-A1 THERAPY FOR DISORDERS OF THE PROXIMAL DIGESTIVE TRACT ORE PHARMACEUTICALS INC. (US) 2009-09-17 WO claimed
JP-2002543120-A 2002-12-17 JP claimed
EP-1183019-A2 ACE-2 INHIBITING COMPOUNDS AND METHODS OF USE THEREOF Millennium Pharmaceuticals, Inc. (US) 2002-03-06 EP claimed
WO-2000066104-A2 ACE-2 INHIBITING COMPOUNDS AND METHODS OF USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2000-11-09 WO claimed
EP-3717077-A1 METHODS FOR MODULATING PIGMENTATION BY ANGIOTENSIN-CONVERTING ENZYME 2 MODULATION Max-Delbrück-Centrum für Molekulare Medizin in der Helmholtz-Gemeinschaft (DE) 2020-10-07 EP disclosed
WO-2010093804-A1 ACE2 INHIBITORS FOR REDUCING GASTROINTESTINAL ADVERSE EFFECTS OF CYTOTOXIC AGENTS ORE PHARMACEUTICALS, INC. (US) 2010-08-19 WO disclosed
WO-2000066104-A9 ACE-2 INHIBITING COMPOUNDS AND METHODS OF USE THEREOF MILLENNIUM PHARM INC (US) 2002-08-29 WO disclosed
WO-2002039997-A2 ACE-2 MODULATING COMPOUNDS AND USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-05-23 WO disclosed
EP-1183019-A2 ACE-2 INHIBITING COMPOUNDS AND METHODS OF USE THEREOF Millennium Pharmaceuticals, Inc. (US) 2002-03-06 EP disclosed
WO-2000066104-A2 ACE-2 INHIBITING COMPOUNDS AND METHODS OF USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2000-11-09 WO disclosed