SCHEMBL689558

SCHEMBL689558

CCN(CC)C1CCN(Cc2cc(C(C)(C)C)cc(NC(=O)Oc3cc4cccc(CN5CCN(C(=O)[C@@H]6CCCN6C)CC5)c4n3C)c2OC)C1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 3/20 0.34
SSTR5 P35346 1/20 0.34
EPHX2 P34913 1/20 0.32
KDM4E B2RXH2 3/20 0.32
TSHR P16473 1/20 0.32
BRAF P15056 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
ALDH1A1 P00352 2/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
DRD4 P21917 1/20 0.30
DHODH Q02127 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 0.97 ACKR3 (0.35) ACKR3SSTR5EPHX2KDM4ETSHR
SCHEMBL689257 0.93 ACKR3 (0.36) ACKR3SSTR5EPHX2KDM4ETSHR
SCHEMBL690280 0.92 MEN1 (0.35) ACKR3SSTR5EPHX2KDM4ETSHR
SCHEMBL689882 0.91 ACKR3 (0.36) ACKR3SSTR5EPHX2KDM4ETSHR
SCHEMBL690221 0.91 ACKR3 (0.36) ACKR3SSTR5EPHX2KDM4ETSHR
SCHEMBL689379 0.90 ACKR3 (0.34) ACKR3SSTR5EPHX2KDM4ETSHR
SCHEMBL688611 0.90 ACKR3 (0.37) ACKR3SSTR5EPHX2KDM4ETSHR
SCHEMBL690441 0.89 ACKR3 (0.35) ACKR3SSTR5EPHX2KDM4ETSHR
SCHEMBL689514 0.88 ACKR3 (0.38) ACKR3SSTR5EPHX2KDM4ETSHR
SCHEMBL690636 0.88 EPHX2 (0.35) ACKR3SSTR5EPHX2KDM4ETSHR

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