SCHEMBL689379

SCHEMBL689379

CCN(CC)Cc1cc(C(C)(C)C)cc(NC(=O)Oc2cc3cccc(CN4CCN(C(=O)[C@@H]5CCCN5C)CC4)c3n2C)c1OC

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 3/20 0.34
EPHX2 P34913 1/20 0.33
SSTR5 P35346 1/20 0.33
DHODH Q02127 2/20 0.31
LYN P07948 1/20 0.31
MAPK9 P45984 1/20 0.31
KDM4E B2RXH2 2/20 0.30
TSHR P16473 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPK14 Q16539 2/20 0.30
RORC P51449 1/20 0.30

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
SCHEMBL690908 0.92 ACKR3 (0.35) ACKR3EPHX2SSTR5DHODHLYN
SCHEMBL690495 0.92 ACKR3 (0.34) ACKR3EPHX2SSTR5DHODHLYN
SCHEMBL688611 0.92 ACKR3 (0.37) ACKR3EPHX2SSTR5DHODHLYN
SCHEMBL690221 0.92 ACKR3 (0.36) ACKR3EPHX2SSTR5DHODHLYN
SCHEMBL690428 0.91 ACKR3 (0.37) ACKR3EPHX2SSTR5DHODHLYN
SCHEMBL689558 0.90 ACKR3 (0.34) ACKR3EPHX2SSTR5DHODHKDM4E
SCHEMBL689257 0.90 ACKR3 (0.36) ACKR3EPHX2SSTR5DHODHLYN
SCHEMBL690441 0.90 ACKR3 (0.35) ACKR3EPHX2SSTR5DHODHLYN
SCHEMBL690636 0.90 EPHX2 (0.35) ACKR3EPHX2SSTR5DHODHLYN
SCHEMBL690851 0.90 EPHX2 (0.35) ACKR3EPHX2SSTR5DHODHLYN

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