SCHEMBL6848232

SCHEMBL6848232

COC(=O)[C@H]1CC(Sc2ccc3ccccc3c2)CN1C(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 1/20 0.43
PTPN1 P18031 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
P2RX3 P56373 1/20 0.38
SLC6A4 P31645 3/20 0.38
SLC6A3 Q01959 3/20 0.38
HTRA1 Q92743 1/20 0.38
UCHL1 P09936 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MMP2 P08253 1/20 0.36
NFKB1 P19838 2/20 0.36
NFKB2 Q00653 2/20 0.36
RELA Q04206 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL6848228 1.00 NR1H2 (0.43) NR1H2NR1H3PTPN1CYP1A2POLB
SCHEMBL1536663 1.00 NR1H2 (0.43) NR1H2NR1H3PTPN1CYP1A2POLB
SCHEMBL6849460 0.89 KMT2A (0.44) NR1H2NR1H3CYP1A2POLBCYP3A4
SCHEMBL6849457 0.89 KMT2A (0.44) NR1H2NR1H3CYP1A2POLBCYP3A4
SCHEMBL6847765 0.88 NR1H2 (0.44) NR1H2NR1H3PTPN1CYP1A2POLB
SCHEMBL700092 0.88 NR1H2 (0.44) NR1H2NR1H3PTPN1CYP1A2POLB
SCHEMBL6847598 0.88 NR1H2 (0.44) NR1H2NR1H3PTPN1CYP1A2POLB
SCHEMBL2059282 0.84 CYP1A2 (0.46) NR1H2NR1H3PTPN1CYP1A2POLB
SCHEMBL12589789 0.84 CYP1A2 (0.46) NR1H2NR1H3PTPN1CYP1A2POLB
SCHEMBL6842749 0.84 CYP1A2 (0.46) NR1H2NR1H3PTPN1CYP1A2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0618810-B1 BRADYKININ ANTAGONIST PEPTIDES SCIOS NOVA INC (US) 2001-07-04 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
WO-1992018156-A1 BRADYKININ ANTAGONIST PEPTIDES NOVA TECHNOLOGY LIMITED PARTNERSHIP (US) 1992-10-29 WO disclosed