SCHEMBL3269248

SCHEMBL3269248

Cn1c(OC(=O)O)cc2cccc(CC3CCNCC3)c21

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.41
JAK1 P23458 2/20 0.41
TYK2 P29597 2/20 0.41
JAK3 P52333 2/20 0.41
KDM1A O60341 3/20 0.38
GBA1 P04062 1/20 0.36
MAOB P27338 1/20 0.35
MAOA P21397 1/20 0.35
RCOR1 Q9UKL0 1/20 0.34
SLC6A4 P31645 2/20 0.34
HTR4 Q13639 2/20 0.34
KCNH2 Q12809 2/20 0.33
ACP1 P24666 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR3A P46098 1/20 0.33
KHK P50053 1/20 0.33
TACR3 P29371 1/20 0.33
IRAK4 Q9NWZ3 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
SCHEMBL3269245 0.83 MCL1 (0.42) JAK2JAK1TYK2JAK3KDM1A
SCHEMBL692868 0.82 LMNA (0.42) SLC6A4
SCHEMBL3237369 0.79 JAK1 (0.38) JAK2JAK1TYK2JAK3
SCHEMBL3261353 0.79 JAK1 (0.38) JAK2JAK1TYK2JAK3
SCHEMBL688804 0.78 CMA1 (0.38)
SCHEMBL689351 0.72 MAPK14 (0.49)
SCHEMBL3229953 0.71 MAPT (0.40) MAOBMAOA
SCHEMBL3267550 0.71 MTNR1B (0.43)
SCHEMBL690229 0.70 EPHX2 (0.43)
SCHEMBL3228839 0.70 EPHX2 (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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