SCHEMBL688697

SCHEMBL688697

CN1CCC[C@H]1OC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.38
CHRNB2 P17787 3/20 0.37
CHRNA7 P36544 3/20 0.37
CHRNA4 P43681 3/20 0.37
CHRNA5 P30532 2/20 0.37
CYP2D6 P10635 1/20 0.36
HTT P42858 1/20 0.36
CHRNB4 P30926 5/20 0.35
CHRNA3 P32297 5/20 0.35
L3MBTL3 Q96JM7 1/20 0.34
POLB P06746 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
SCHEMBL688825 1.00 SMN1; SMN2 (0.38) SMN1; SMN2CHRNB2CHRNA7CHRNA4CHRNA5
SCHEMBL3905171 1.00 SMN1; SMN2 (0.38) SMN1; SMN2CHRNB2CHRNA7CHRNA4CHRNA5
SCHEMBL17629524 0.94 CHRNB2 (0.33) SMN1; SMN2CHRNB2CHRNA7CHRNA4CHRNA5
SCHEMBL2788345 0.94 CHRNB2 (0.33) SMN1; SMN2CHRNB2CHRNA7CHRNA4CHRNA5
SCHEMBL688928 0.87
SCHEMBL8704065 0.82 SMN1; SMN2 (0.37) SMN1; SMN2CHRNB2CHRNA7CHRNA4CHRNA5
Hydrochloric Acid SCHEMBL21801417 0.82 SMN1; SMN2 (0.40) SMN1; SMN2CYP2D6POLB
SCHEMBL8682105 0.79 CHRM1 (0.44) SMN1; SMN2CHRNB2CHRNA7CHRNA4CHRNA5
SCHEMBL8683160 0.79 SMN1; SMN2 (0.35) SMN1; SMN2CHRNB2CHRNA7CHRNA4CHRNA5
SCHEMBL6695503 0.78 CHRM2 (0.39) CYP2D6

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