SCHEMBL690572

SCHEMBL690572

CN1CC(C(=O)N2CCN(Cc3cccc4cc(C(=O)O)n(C)c34)CC2)C1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.40
DHODH Q02127 2/20 0.40
ADRB2 P07550 1/20 0.39
MTNR1B P49286 1/20 0.39
FAAH O00519 2/20 0.38
KMT2A Q03164 4/20 0.38
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 3/20 0.38
KDM4E B2RXH2 3/20 0.38
TSHR P16473 2/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MCL1 Q07820 3/20 0.37
GAA P10253 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL27856266 0.91 KMT2A (0.46) RORCDHODHKMT2AALDH1A1MEN1
SCHEMBL3267545 0.91 ALDH1A1 (0.43) RORCDHODHADRB2MTNR1BKMT2A
SCHEMBL3233896 0.89 RORC (0.40) RORCDHODHADRB2MTNR1BFAAH
SCHEMBL27856261 0.89 MEN1 (0.44) RORCDHODHADRB2MTNR1BKMT2A
SCHEMBL3220898 0.86 MTNR1B (0.39) RORCDHODHADRB2MTNR1BFAAH
SCHEMBL3232196 0.85 FAAH (0.35) RORCDHODHFAAHKMT2AALDH1A1
SCHEMBL3264462 0.85 FAAH (0.35) RORCDHODHFAAHKMT2AALDH1A1
SCHEMBL3264483 0.85 FAAH (0.35) RORCDHODHFAAHKMT2AALDH1A1
SCHEMBL3266877 0.85 FAAH (0.35) RORCDHODHFAAHKMT2AALDH1A1
SCHEMBL3267160 0.84 FAAH (0.38) RORCDHODHMTNR1BFAAHKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102186818-B 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 2013-10-02 CN claimed
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 claimed
CN-102186818-A 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 2011-09-14 CN 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 claimed
CN-102186818-B 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 2013-10-02 CN disclosed
CN-102186818-A 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 2011-09-14 CN 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