SCHEMBL691265

SCHEMBL691265

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.35
ACKR3 P25106 3/20 0.34
KDM4E B2RXH2 4/20 0.32
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
ALDH1A1 P00352 3/20 0.32
LMNA P02545 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
DHODH Q02127 2/20 0.32
RAB9A P51151 1/20 0.31
TSHR P16473 2/20 0.31
RORC P51449 2/20 0.31
MTNR1B P49286 1/20 0.30
CHRM3 P20309 1/20 0.30
TP53 P04637 1/20 0.30
POLB P06746 1/20 0.30
ALOX15 P16050 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
SLC9A1 P19634 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
SCHEMBL690015 0.95 ACKR3 (0.36) EPHX2ACKR3KDM4EMEN1KMT2A
SCHEMBL689851 0.93 EPHX2 (0.35) EPHX2ACKR3KDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL689832 0.92 EPHX2 (0.35) EPHX2ACKR3KDM4EMEN1KMT2A
SCHEMBL690479 0.91 LYN (0.35) EPHX2ACKR3DHODH
SCHEMBL1303050 0.90 ACKR3 (0.36) EPHX2ACKR3KDM4EMEN1KMT2A
SCHEMBL689084 0.86 LYN (0.36) EPHX2ACKR3KDM4EMEN1KMT2A
SCHEMBL690851 0.86 EPHX2 (0.35) EPHX2ACKR3KDM4EMEN1KMT2A
SCHEMBL688396 0.85 MAPK14 (0.34) EPHX2ACKR3KDM4EALDH1A1DHODH
SCHEMBL688611 0.85 ACKR3 (0.37) EPHX2ACKR3KDM4EMEN1KMT2A
SCHEMBL690221 0.85 ACKR3 (0.36) EPHX2ACKR3KDM4EMEN1KMT2A

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