SCHEMBL688938

SCHEMBL688938

CC(C)(C)OC(=O)ON1CCN(CC(=O)O)CC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.38
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
CACNA1H O95180 1/20 0.32
SLC6A9 P48067 1/20 0.32
S1PR1 P21453 1/20 0.31
CTSK P43235 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
USP2 O75604 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31

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
SCHEMBL3817248 0.80 USP2 (0.35) CHRM2CHRM1CHRM3CTSKUSP2
SCHEMBL16673627 0.80 CACNA1H (0.32) CHRM2CHRM4CHRM1CHRM3CACNA1H
SCHEMBL20260416 0.79 HSD17B10 (0.42) HSD17B10CHRM2CHRM4CHRM1CHRM3
SCHEMBL12004645 0.79 HSD17B10 (0.42) HSD17B10CHRM2CHRM4CHRM1CHRM3
SCHEMBL16749946 0.79 HSD17B10 (0.42) HSD17B10CHRM2CHRM4CHRM1CHRM3
SCHEMBL1041478 0.79 HSD17B10 (0.42) HSD17B10CHRM2CHRM4CHRM1CHRM3
SCHEMBL10063507 0.79 HSD17B10 (0.42) HSD17B10CHRM2CHRM4CHRM1CHRM3
SCHEMBL28434268 0.77 HSD17B10 (0.44) HSD17B10SLC6A9S1PR1ITGB3ITGA2B
SCHEMBL4434089 0.76 HPGD (0.39) HSD17B10CHRM2CHRM1CHRM3CTSK
SCHEMBL578032 0.76 CHRM2 (0.55) CHRM2CHRM4CHRM1CHRM3USP2

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