SCHEMBL6848252

SCHEMBL6848252

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.43
ANPEP P15144 2/20 0.43
NR1H2 P55055 2/20 0.41
NR1H3 Q13133 1/20 0.41
PTPN1 P18031 1/20 0.41
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
ALDH1A1 P00352 1/20 0.37
P2RX3 P56373 1/20 0.36
PDE4B Q07343 1/20 0.36
HTRA1 Q92743 1/20 0.35
HSD17B10 Q99714 1/20 0.35
EPHX2 P34913 1/20 0.34
HSD11B1 P28845 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL23216338 1.00 MMP2 (0.43) MMP2ANPEPNR1H2NR1H3PTPN1
SCHEMBL6848250 1.00 MMP2 (0.43) MMP2ANPEPNR1H2NR1H3PTPN1
SCHEMBL31567936 1.00 MMP2 (0.43) MMP2ANPEPNR1H2NR1H3PTPN1
SCHEMBL2251657 1.00 MMP2 (0.43) MMP2ANPEPNR1H2NR1H3PTPN1
SCHEMBL2253790 1.00 MMP2 (0.43) MMP2ANPEPNR1H2NR1H3PTPN1
SCHEMBL29063178 0.90 NR1H2 (0.40) NR1H2NR1H3CYP1A2POLBCYP3A4
SCHEMBL29063175 0.90 NR1H2 (0.40) NR1H2NR1H3CYP1A2POLBCYP3A4
SCHEMBL24113423 0.90 NR1H2 (0.40) NR1H2NR1H3CYP1A2POLBCYP3A4
SCHEMBL23216743 0.87 NR1H2 (0.42) MMP2ANPEPNR1H2NR1H3PTPN1
SCHEMBL3786077 0.85 NR1H2 (0.48) MMP2ANPEPNR1H2NR1H3PTPN1

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 4 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
WO-1992018156-A1 BRADYKININ ANTAGONIST PEPTIDES NOVA TECHNOLOGY LIMITED PARTNERSHIP (US) 1992-10-29 WO disclosed