SCHEMBL6846804

SCHEMBL6846804

COC(=O)[C@@H]1CC(Oc2ccc(N)cc2)CN1C(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.53
MCL1 Q07820 14/20 0.46
NR1H2 P55055 2/20 0.41
NR1H3 Q13133 1/20 0.41
PTPN1 P18031 1/20 0.41
KCNH2 Q12809 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
UCHL1 P09936 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
SCHEMBL6846802 1.00 P2RX3 (0.53) P2RX3MCL1NR1H2NR1H3PTPN1
SCHEMBL25365111 0.91 P2RX3 (0.53) P2RX3MCL1NR1H2NR1H3
SCHEMBL7580787 0.90 P2RX3 (0.53) P2RX3MCL1
SCHEMBL18617461 0.90 P2RX3 (0.52) P2RX3MCL1NR1H2NR1H3PTPN1
SCHEMBL3263994 0.90 P2RX3 (0.63) P2RX3MCL1
SCHEMBL12442648 0.90 P2RX3 (0.52) P2RX3MCL1NR1H2NR1H3PTPN1
SCHEMBL29523156 0.90 P2RX3 (0.52) P2RX3MCL1NR1H2NR1H3PTPN1
SCHEMBL18754654 0.90 P2RX3 (0.52) P2RX3MCL1NR1H2NR1H3PTPN1
SCHEMBL6770355 0.90 MCL1 (0.52) P2RX3MCL1
SCHEMBL6770357 0.90 MCL1 (0.52) P2RX3MCL1

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