SCHEMBL6847724

SCHEMBL6847724

CC(C)(C)OC(=O)N1C[C@H](Sc2ccccc2)C[C@H]1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.54
KMT2A Q03164 1/20 0.54
HTRA1 Q92743 1/20 0.42
AGTR2 P50052 3/20 0.40
UCHL1 P09936 1/20 0.40
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
CTSS P25774 1/20 0.38

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
SCHEMBL7380297 1.00 ACE (0.54) ACEKMT2AHTRA1AGTR2UCHL1
SCHEMBL12646680 1.00 ACE (0.54) ACEKMT2AHTRA1AGTR2UCHL1
SCHEMBL8642743 1.00 ACE (0.54) ACEKMT2AHTRA1AGTR2UCHL1
SCHEMBL9542869 1.00 ACE (0.54) ACEKMT2AHTRA1AGTR2UCHL1
SCHEMBL3194307 1.00 ACE (0.54) ACEKMT2AHTRA1AGTR2UCHL1
SCHEMBL6848107 0.90 CYP1A2 (0.45) ACEKMT2AHTRA1CYP1A2POLB
SCHEMBL6848112 0.90 CYP1A2 (0.45) ACEKMT2AHTRA1CYP1A2POLB
SCHEMBL6847765 0.89 NR1H2 (0.44) ACEKMT2AHTRA1UCHL1CYP1A2
SCHEMBL700092 0.89 NR1H2 (0.44) ACEKMT2AHTRA1UCHL1CYP1A2
SCHEMBL6847598 0.89 NR1H2 (0.44) ACEKMT2AHTRA1UCHL1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015003723-A1 SUBSTITUTED 4-PROLINE DERIVATIVES AS IGLUR ANTAGONISTS Københavns Universitet (DK) 2015-01-15 WO disclosed
US-6770741-B1 USEFUL IN TREATING CONDITIONS AND DISEASES OF A MAMMAL AND HUMAN IN WHICH AN EXCESS OF BRADYKININ OR RELATED KININS ARE PRODUCED OR INJECTED SUCH AS BY INSECT BITES SCIOS INC. 2004-08-03 US disclosed
US-6288036-B1 ANTIINFLAMMATORY, ANTIASTHMATIC, ANTIALLERGEN, AND ANALGESIC AGENTS; ARGININE-CONTAINING NONA- OR DECAPEPTIDES SCIOS INC. 2001-09-11 US disclosed
EP-0618810-B1 BRADYKININ ANTAGONIST PEPTIDES SCIOS NOVA INC (US) 2001-07-04 EP disclosed
EP-0618809-B1 BRADYKININ TYPE PEPTIDES SCIOS NOVA INC (US) 1998-08-19 EP disclosed
US-5385889-A Substitution of L-proline at the 7-position of the peptide hormone with a D-configuration hydroxyproline ether or thioether converts agonist into antagonist SCIOS NOVA INC. (US) 1995-01-31 US disclosed
EP-0618810-A4 BRADYKININ ANTAGONIST PEPTIDES. SCIOS NOVA INC (US) 1994-12-07 EP disclosed
EP-0618810-A1 BRADYKININ ANTAGONIST PEPTIDES SCIOS NOVA INC. (US) 1994-10-12 EP disclosed
EP-0618809-A1 BRADYKININ TYPE PEPTIDES SCIOS NOVA INC. (US) 1994-10-12 EP disclosed
EP-0618809-A4 BRADYKININ TYPE PEPTIDES. SCIOS NOVA INC (US) 1994-07-28 EP disclosed
WO-1992018155-A1 BRADYKININ TYPE PEPTIDES NOVA TECHNOLOGY LIMITED PARTNERSHIP (US) 1992-10-29 WO disclosed
WO-1992018156-A1 BRADYKININ ANTAGONIST PEPTIDES NOVA TECHNOLOGY LIMITED PARTNERSHIP (US) 1992-10-29 WO disclosed