SCHEMBL690280

SCHEMBL690280

COc1c(CN2CCCC(N(C)C)C2)cc(C(C)(C)C)cc1NC(=O)Oc1cc2cccc(CN3CCN(C(=O)[C@@H]4CCCN4C)CC3)c2n1C

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35
ACKR3 P25106 3/20 0.33
KDM4E B2RXH2 1/20 0.33
TSHR P16473 1/20 0.33
SSTR5 P35346 1/20 0.33
BRAF P15056 1/20 0.33
EPHX2 P34913 1/20 0.32
POLB P06746 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
DDR1 Q08345 3/20 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
SCHEMBL689257 0.94 ACKR3 (0.36) MEN1KMT2AACKR3KDM4ETSHR
SCHEMBL689558 0.92 ACKR3 (0.34) MEN1KMT2AACKR3KDM4ETSHR
SCHEMBL690221 0.91 ACKR3 (0.36) MEN1KMT2AACKR3KDM4ETSHR
SCHEMBL691256 0.91 MEN1 (0.36) MEN1KMT2AACKR3KDM4ETSHR
SCHEMBL690908 0.90 ACKR3 (0.35) MEN1KMT2AACKR3KDM4ETSHR
SCHEMBL688611 0.90 ACKR3 (0.37) MEN1KMT2AACKR3KDM4ETSHR
SCHEMBL690441 0.90 ACKR3 (0.35) ACKR3KDM4ETSHRSSTR5BRAF
SCHEMBL689379 0.88 ACKR3 (0.34) ACKR3KDM4ETSHRSSTR5EPHX2
SCHEMBL690851 0.88 EPHX2 (0.35) MEN1KMT2AACKR3KDM4ETSHR
SCHEMBL690495 0.88 ACKR3 (0.34) ACKR3KDM4ETSHRSSTR5BRAF

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 3 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 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