SCHEMBL6847613

SCHEMBL6847613

COC(=O)[C@H]1CC(OS(=O)(=O)c2ccc(C)cc2)CN1C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.47
NR1H3 Q13133 1/20 0.47
MCL1 Q07820 9/20 0.45
MMP2 P08253 2/20 0.44
ANPEP P15144 2/20 0.44
ALDH1A1 P00352 3/20 0.43
KMT2A Q03164 3/20 0.43
CYP3A4 P08684 3/20 0.43
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.43
CYP2C19 P33261 1/20 0.43
PTPN1 P18031 1/20 0.42
CYP2D6 P10635 1/20 0.41
HSD11B1 P28845 1/20 0.41
P2RX3 P56373 1/20 0.39
MEN1 O00255 2/20 0.39
BCL2 P10415 1/20 0.39
BCL2L1 Q07817 1/20 0.39

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
SCHEMBL3182745 1.00 NR1H2 (0.47) NR1H2NR1H3MCL1MMP2ANPEP
SCHEMBL8166919 1.00 NR1H2 (0.47) NR1H2NR1H3MCL1MMP2ANPEP
SCHEMBL2819569 1.00 NR1H2 (0.47) NR1H2NR1H3MCL1MMP2ANPEP
SCHEMBL6847935 1.00 NR1H2 (0.47) NR1H2NR1H3MCL1MMP2ANPEP
SCHEMBL4320166 1.00 NR1H2 (0.47) NR1H2NR1H3MCL1MMP2ANPEP
SCHEMBL25097911 1.00 NR1H2 (0.47) NR1H2NR1H3MCL1MMP2ANPEP
SCHEMBL6847610 1.00 NR1H2 (0.47) NR1H2NR1H3MCL1MMP2ANPEP
SCHEMBL3187965 0.94 MCL1 (0.44) NR1H2NR1H3MCL1KMT2ACYP3A4
SCHEMBL30148070 0.94 MCL1 (0.44) NR1H2NR1H3MCL1KMT2ACYP3A4
SCHEMBL13481726 0.94 MCL1 (0.44) NR1H2NR1H3MCL1KMT2ACYP3A4

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
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-6399629-B1 PYRROLIDINES AND PIPERIDINES FOR TREATING MICROBIAL INFECTIONS BY REDUCING EXPORT OF COADMINISTERED ANTIMICROBIAL AGENT OR COMPOUND SYNTHESIZED BY MICROBES FOR THEIR GROWTH; REDUCING IN VIVO AVAILABILITY MICROCIDE PHARMACEUTICALS, INC. 2002-06-04 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