SCHEMBL1849006

SCHEMBL1849006

C=C1CCCCCN1C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.38
USP2 O75604 1/20 0.38
ESR2 Q92731 1/20 0.38
CTSK P43235 1/20 0.37
EPHX1 P07099 1/20 0.37
NR1H2 P55055 1/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
MITF O75030 1/20 0.36
PREP P48147 2/20 0.35
MPO P05164 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ABL1 P00519 1/20 0.34
RIN1 Q13671 1/20 0.34
MAPK1 P28482 1/20 0.34
KDM1A O60341 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL5278772 0.98 HPGD (0.40) HPGDSMN1; SMN2USP2ESR2CTSK
SCHEMBL8779874 0.93 USP2 (0.40) HPGDSMN1; SMN2USP2ESR2CTSK
SCHEMBL27851257 0.86 USP2 (0.42) HPGDSMN1; SMN2USP2ESR2CTSK
SCHEMBL31551856 0.81 SMN1; SMN2 (0.50) HPGDSMN1; SMN2USP2ESR2CTSK
SCHEMBL5421438 0.81 SMN1; SMN2 (0.50) HPGDSMN1; SMN2USP2ESR2CTSK
SCHEMBL12699827 0.81 HPGD (0.37) HPGDSMN1; SMN2USP2ESR2CTSK
SCHEMBL42476 0.79 SMN1; SMN2 (0.48) HPGDSMN1; SMN2USP2ESR2CTSK
SCHEMBL28541306 0.79 KDM4E (0.43) HPGDSMN1; SMN2MEN1KMT2AMAPK1
SCHEMBL28551339 0.76 KMT2A (0.40) SMN1; SMN2MEN1KMT2AABL1RIN1
SCHEMBL1849008 0.75 HPGD (0.35) HPGDSMN1; SMN2USP2CTSKEPHX1

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