SCHEMBL6848461

SCHEMBL6848461

C=CCOC(=O)[C@H]1CC(OCC=C)CN1C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.36
CYP19A1 P11511 1/20 0.36
P2RX3 P56373 1/20 0.34
UCHL1 P09936 1/20 0.33
PRMT5 O14744 2/20 0.32
WDR77 Q9BQA1 2/20 0.32
PTPN1 P18031 1/20 0.32
CYP1A2 P05177 1/20 0.32
POLB P06746 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
ABCB1 P08183 1/20 0.32
TGM2 P21980 2/20 0.31
F13A1 P00488 1/20 0.31
TGM1 P22735 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MCL1 Q07820 2/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31

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
SCHEMBL15590886 1.00 NR1H2 (0.36) NR1H2CYP19A1P2RX3UCHL1PRMT5
SCHEMBL6848454 1.00 NR1H2 (0.36) NR1H2CYP19A1P2RX3UCHL1PRMT5
SCHEMBL30732551 1.00 NR1H2 (0.36) NR1H2CYP19A1P2RX3UCHL1PRMT5
SCHEMBL7729501 0.93 NR1H2 (0.35) NR1H2CYP19A1P2RX3UCHL1CYP1A2
SCHEMBL7729499 0.93 NR1H2 (0.35) NR1H2CYP19A1P2RX3UCHL1CYP1A2
SCHEMBL30732556 0.90 CYP19A1 (0.38) NR1H2CYP19A1
SCHEMBL15674375 0.90 P2RX3 (0.39) NR1H2CYP19A1P2RX3UCHL1PTPN1
SCHEMBL15674373 0.90 P2RX3 (0.39) NR1H2CYP19A1P2RX3UCHL1PTPN1
SCHEMBL30556108 0.90 P2RX3 (0.39) NR1H2CYP19A1P2RX3UCHL1PTPN1
SCHEMBL15697413 0.90 P2RX3 (0.39) NR1H2CYP19A1P2RX3UCHL1PTPN1

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