SCHEMBL1849008

SCHEMBL1849008

C=C1CCCCCN1OC(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.35
EPHX1 P07099 1/20 0.31
CTSK P43235 1/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
USP2 O75604 1/20 0.30
MITF O75030 1/20 0.30
GAA P10253 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
SCHEMBL1849006 0.75 HPGD (0.42) HPGDEPHX1CTSKSMN1; SMN2USP2
SCHEMBL5278772 0.73 HPGD (0.40) HPGDEPHX1CTSKSMN1; SMN2USP2
SCHEMBL2373613 0.73 HPGD (0.41) HPGDEPHX1CTSKSMN1; SMN2USP2
SCHEMBL689203 0.71 USP2 (0.33) SMN1; SMN2USP2
SCHEMBL4434089 0.71 HPGD (0.39) HPGDEPHX1CTSKSMN1; SMN2USP2
SCHEMBL689237 0.70
SCHEMBL8779874 0.68 USP2 (0.40) HPGDEPHX1CTSKSMN1; SMN2USP2
SCHEMBL16925538 0.67 HPGD (0.50) HPGDEPHX1SMN1; SMN2USP2
SCHEMBL4961794 0.66 SMN1; SMN2 (0.38) HPGDSMN1; SMN2MITFGAA
SCHEMBL9056185 0.66 KMT2A (0.44) SMN1; SMN2GAA

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
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