SCHEMBL690015

SCHEMBL690015

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 3/20 0.36
EPHX2 P34913 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
KDM4E B2RXH2 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CHRM3 P20309 5/20 0.34
BRAF P15056 1/20 0.34
SLC9A1 P19634 1/20 0.33
TSHR P16473 2/20 0.33
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
DHODH Q02127 1/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 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
SCHEMBL691265 0.95 EPHX2 (0.35) ACKR3EPHX2MEN1KMT2AALDH1A1
SCHEMBL689851 0.94 EPHX2 (0.35) ACKR3EPHX2MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL689832 0.93 EPHX2 (0.35) ACKR3EPHX2MEN1KMT2AALDH1A1
SCHEMBL689084 0.91 LYN (0.36) ACKR3EPHX2MEN1KMT2AALDH1A1
SCHEMBL1303541 0.90 ACKR3 (0.38) ACKR3EPHX2MEN1KMT2AALDH1A1
SCHEMBL690851 0.87 EPHX2 (0.35) ACKR3EPHX2MEN1KMT2AALDH1A1
SCHEMBL688396 0.86 MAPK14 (0.34) ACKR3EPHX2ALDH1A1KDM4ETSHR
SCHEMBL688611 0.86 ACKR3 (0.37) ACKR3EPHX2MEN1KMT2AALDH1A1
SCHEMBL690221 0.86 ACKR3 (0.36) ACKR3EPHX2MEN1KMT2AALDH1A1
SCHEMBL690479 0.86 LYN (0.35) ACKR3EPHX2BRAFDHODH

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