SCHEMBL690127

SCHEMBL690127

COc1c(NC(=O)Oc2cc3cccc(CN4CCN(C(=O)[C@@H]5CCCN5C)CC4)c3n2C)cc(C(C)(C)C)cc1NC(=O)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.35
ACKR3 P25106 3/20 0.34
SSTR5 P35346 1/20 0.34
MAPK14 Q16539 3/20 0.34
LYN P07948 2/20 0.33
MAPK9 P45984 2/20 0.33
ABL1 P00519 1/20 0.33
EGFR P00533 1/20 0.33
RAF1 P04049 1/20 0.33
BRAF P15056 1/20 0.33
EPHA2 P29317 1/20 0.33
EPHA3 P29320 1/20 0.33
AKT1 P31749 1/20 0.33
DHODH Q02127 2/20 0.33
RORC P51449 1/20 0.33
DRD2 P14416 1/20 0.32
KDM4E B2RXH2 2/20 0.32
TSHR P16473 1/20 0.32
ALDH1A1 P00352 1/20 0.32
DRD4 P21917 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
SCHEMBL690851 0.93 EPHX2 (0.35) EPHX2ACKR3SSTR5MAPK14LYN
SCHEMBL690441 0.92 ACKR3 (0.35) EPHX2ACKR3SSTR5MAPK14LYN
SCHEMBL689447 0.92 MAPK14 (0.35) EPHX2ACKR3SSTR5MAPK14LYN
SCHEMBL690636 0.92 EPHX2 (0.35) EPHX2ACKR3SSTR5MAPK14LYN
SCHEMBL689675 0.92 ACKR3 (0.38) EPHX2ACKR3SSTR5MAPK14LYN
SCHEMBL688611 0.91 ACKR3 (0.37) EPHX2ACKR3SSTR5MAPK14LYN
SCHEMBL690221 0.91 ACKR3 (0.36) EPHX2ACKR3SSTR5MAPK14LYN
SCHEMBL689851 0.91 EPHX2 (0.35) EPHX2ACKR3SSTR5MAPK14LYN
SCHEMBL689645 0.91 SSTR5 (0.35) EPHX2ACKR3SSTR5MAPK14LYN
Hydrochloric Acid SCHEMBL689832 0.91 EPHX2 (0.35) EPHX2ACKR3SSTR5MAPK14LYN

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-2323980-B1 7-(PIPERAZINE-1-YMETHYL)-1H-INDOLE-2-CARBOXYLIC ACID (PHENYL)-AMIDE DERIVATIVES AND ALLIED COMPOUNDS AS P38 MAP KINASE INHIBITORS FOR THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INT (DE) 2012-02-29 EP claimed
EP-2323980-A1 7-(PIPERAZINE-1-YMETHYL)-1H-INDOLE-2-CARBOXYLIC ACID (PHENYL)-AMIDE DERIVATIVES AND ALLIED COMPOUNDS AS P38 MAP KINASE INHIBITORS FOR THE TREATMENT OF RESPIRATORY DISEASES Boehringer Ingelheim International GmbH (DE) 2011-05-25 EP claimed
WO-2010026096-A1 7-(PIPERAZINE-1-YMETHYL)-1H-INDOLE-2-CARBOXYLIC ACID (PHENYL)-AMIDE DERIVATIVES AND ALLIED COMPOUNDS AS P38 MAP KINASE INHIBITORS FOR THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-11 WO claimed
EP-2323980-B1 7-(PIPERAZINE-1-YMETHYL)-1H-INDOLE-2-CARBOXYLIC ACID (PHENYL)-AMIDE DERIVATIVES AND ALLIED COMPOUNDS AS P38 MAP KINASE INHIBITORS FOR THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INT (DE) 2012-02-29 EP disclosed
EP-2323980-A1 7-(PIPERAZINE-1-YMETHYL)-1H-INDOLE-2-CARBOXYLIC ACID (PHENYL)-AMIDE DERIVATIVES AND ALLIED COMPOUNDS AS P38 MAP KINASE INHIBITORS FOR THE TREATMENT OF RESPIRATORY DISEASES Boehringer Ingelheim International GmbH (DE) 2011-05-25 EP disclosed
WO-2010026096-A1 7-(PIPERAZINE-1-YMETHYL)-1H-INDOLE-2-CARBOXYLIC ACID (PHENYL)-AMIDE DERIVATIVES AND ALLIED COMPOUNDS AS P38 MAP KINASE INHIBITORS FOR THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-11 WO disclosed