SCHEMBL3264487

SCHEMBL3264487

CN1C[C@@H](O)C[C@H]1C(=O)N1CCN(Cc2cccc3cc(OC(=O)O)n(C)c23)CC1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.34
HRH3 Q9Y5N1 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 4/20 0.33
ALDH1A1 P00352 3/20 0.33
DHODH Q02127 2/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
RORC P51449 1/20 0.33
MTNR1B P49286 1/20 0.33
LMNA P02545 1/20 0.33
ALOX15 P16050 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
SCHEMBL3264465 1.00 FAAH (0.34) FAAHHRH3MEN1KMT2AKDM4E
SCHEMBL3232200 1.00 FAAH (0.34) FAAHHRH3MEN1KMT2AKDM4E
SCHEMBL3266879 1.00 FAAH (0.34) FAAHHRH3MEN1KMT2AKDM4E
SCHEMBL3267302 0.89 HRH3 (0.36) FAAHHRH3MEN1KMT2AKDM4E
SCHEMBL3264462 0.87 FAAH (0.35) FAAHHRH3MEN1KMT2AKDM4E
SCHEMBL3264483 0.87 FAAH (0.35) FAAHHRH3MEN1KMT2AKDM4E
SCHEMBL3266877 0.87 FAAH (0.35) FAAHHRH3MEN1KMT2AKDM4E
SCHEMBL3232196 0.87 FAAH (0.35) FAAHHRH3MEN1KMT2AKDM4E
SCHEMBL3267163 0.87 EPHX2 (0.37) FAAHMEN1KMT2AKDM4EALDH1A1
SCHEMBL3220898 0.86 MTNR1B (0.39) FAAHMEN1KMT2AKDM4EALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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