SCHEMBL4556877

SCHEMBL4556877

O=C(O)[C@@H]1CCC(c2ccccc2OCc2ccccc2)=N1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.51
RXRB P28702 3/20 0.51
RXRG P48443 2/20 0.51
MCL1 Q07820 1/20 0.46
PTGER1 P34995 9/20 0.45
PTGER4 P35408 5/20 0.45
PTGER3 P43115 5/20 0.45
PTGER2 P43116 5/20 0.45
IDO1 P14902 1/20 0.44
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
HPGD P15428 1/20 0.43
SGMS2 Q8NHU3 1/20 0.43
BRD4 O60885 1/20 0.42
DRD2 P14416 1/20 0.42
DRD1 P21728 1/20 0.42
TBXA2R P21731 1/20 0.42
DRD4 P21917 1/20 0.42
DRD5 P21918 1/20 0.42

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
SCHEMBL20876895 0.80 NR4A2 (0.51) MCL1
SCHEMBL2727830 0.80 NR4A2 (0.51) MCL1
SCHEMBL2713179 0.80 NR4A2 (0.51) MCL1
SCHEMBL2836867 0.77 MRGPRX4 (0.49)
SCHEMBL7723380 0.76 RXRA (0.50) RXRARXRBRXRGMCL1PTGER1
SCHEMBL7724707 0.76 RXRA (0.50) RXRARXRBRXRGMCL1PTGER1
SCHEMBL7724616 0.76 RXRA (0.50) RXRARXRBRXRGMCL1PTGER1
SCHEMBL11368798 0.75 HTR2B (0.42) MEN1ALDH1A1KMT2AHPGD
SCHEMBL14328250 0.71 RAB9A (0.39) MEN1KMT2A
SCHEMBL9542642 0.71 RAB9A (0.39) MEN1KMT2A

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
EP-2086641-A2 EGFR KINASE INHIBITOR COMBINATIONS FOR THE TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS Boehringer Ingelheim International GmbH (DE) 2009-08-12 EP disclosed
EP-1943216-A1 PROLINAMIDE DERIVATIVES AS SODIUM CHANNEL MODULATORS GLAXO GROUP LIMITED (GB) 2008-07-16 EP disclosed
EP-1934177-A1 PROLINAMIDE DERIVATIVES AS SODIUM CHANNEL MODULATORS GLAXO GROUP LIMITED (GB) 2008-06-25 EP disclosed
WO-2008049842-A2 EGFR KINASE INHIBITOR COMBINATIONS FOR THE TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-02 WO disclosed
WO-2007042239-A1 PROLINAMIDE DERIVATIVES AS SODIUM CHANNEL MODULATORS GLAXO GROUP LIMITED (GB) 2007-04-19 WO disclosed
WO-2007042250-A1 PROLINAMIDE DERIVATIVES AS SODIUM CHANNEL MODULATORS GLAXO GROUP LIMITED (GB) 2007-04-19 WO disclosed