SCHEMBL690229

SCHEMBL690229

CN1CCCC1C(=O)N1CCN(Cc2cccc3cc(OC(=O)O)n(C)c23)CC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.43
RORC P51449 3/20 0.37
DHODH Q02127 2/20 0.37
KDM4E B2RXH2 6/20 0.37
POLB P06746 1/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
ALDH1A1 P00352 3/20 0.36
TSHR P16473 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
MTNR1B P49286 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL3228839 1.00 EPHX2 (0.43) EPHX2RORCDHODHKDM4EPOLB
SCHEMBL689276 1.00 EPHX2 (0.43) EPHX2RORCDHODHKDM4EPOLB
SCHEMBL3267163 0.94 EPHX2 (0.37) EPHX2RORCDHODHKDM4EMEN1
SCHEMBL3261353 0.88 JAK1 (0.38) EPHX2
SCHEMBL3237369 0.88 JAK1 (0.38) EPHX2
SCHEMBL3228834 0.87 EPHX2 (0.42) EPHX2RORCDHODHKDM4EPOLB
SCHEMBL689275 0.87 EPHX2 (0.42) EPHX2RORCDHODHKDM4EPOLB
SCHEMBL690228 0.87 EPHX2 (0.42) EPHX2RORCDHODHKDM4EPOLB
SCHEMBL3266879 0.85 FAAH (0.34) RORCDHODHKDM4EMEN1KMT2A
SCHEMBL3264487 0.85 FAAH (0.34) RORCDHODHKDM4EMEN1KMT2A

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