SCHEMBL689675

SCHEMBL689675

COc1c(NC(=O)Oc2cc3cccc(CN4CCN(C(=O)[C@@H]5CCCN5C)CC4)c3n2C)cc(C(C)(C)C)cc1NC(=O)C1CC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 6/20 0.38
EPHX2 P34913 1/20 0.35
SSTR5 P35346 1/20 0.34
DHODH Q02127 2/20 0.34
KDM4E B2RXH2 2/20 0.33
LYN P07948 1/20 0.33
MAPK9 P45984 1/20 0.33
DRD5 P21918 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
RORC P51449 1/20 0.33
MTNR1B P49286 1/20 0.33
SCARB1 Q8WTV0 1/20 0.32
MAPK14 Q16539 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL690636 0.93 EPHX2 (0.35) ACKR3EPHX2SSTR5DHODHKDM4E
SCHEMBL690851 0.93 EPHX2 (0.35) ACKR3EPHX2SSTR5DHODHKDM4E
SCHEMBL690127 0.92 EPHX2 (0.35) ACKR3EPHX2SSTR5DHODHKDM4E
SCHEMBL690221 0.91 ACKR3 (0.36) ACKR3EPHX2SSTR5DHODHKDM4E
SCHEMBL688611 0.91 ACKR3 (0.37) ACKR3EPHX2SSTR5DHODHKDM4E
SCHEMBL689851 0.91 EPHX2 (0.35) ACKR3EPHX2SSTR5DHODHKDM4E
SCHEMBL689645 0.91 SSTR5 (0.35) ACKR3EPHX2SSTR5DHODHKDM4E
Hydrochloric Acid SCHEMBL689832 0.91 EPHX2 (0.35) ACKR3EPHX2SSTR5DHODHKDM4E
SCHEMBL690613 0.91 LYN (0.35) ACKR3EPHX2SSTR5DHODHLYN
SCHEMBL688396 0.90 MAPK14 (0.34) ACKR3EPHX2SSTR5DHODHKDM4E

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
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-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