SCHEMBL690355

SCHEMBL690355

COc1c(CN2CCN(C)CC2)cc(C(C)(C)C)cc1C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
SSTR5 P35346 1/20 0.39
SCN9A Q15858 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
CHEK1 O14757 1/20 0.38
CPT1B Q92523 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
HTR6 P50406 1/20 0.36
NR1H2 P55055 1/20 0.36
ABL1 P00519 1/20 0.36

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
SCHEMBL5118350 0.90 POLB (0.42) GAAKDM4EALDH1A1MAPTSSTR5
SCHEMBL691322 0.87 SSTR5 (0.38) KDM4ESSTR5MEN1KMT2A
SCHEMBL5124004 0.87 HCRTR1 (0.42) KDM4EALDH1A1MAPTSSTR5SCN9A
SCHEMBL689686 0.83 SSTR5 (0.42) GAAKDM4EALDH1A1MAPTSSTR5
SCHEMBL689162 0.82 SSTR5 (0.41) GAAKDM4EALDH1A1MAPTSSTR5
SCHEMBL5119234 0.80 SCN9A (0.43) KDM4EALDH1A1SCN9AMEN1POLB
SCHEMBL689665 0.78 MAPT (0.41) KDM4EALDH1A1MAPTMEN1POLB
SCHEMBL690226 0.78 ALDH1A1 (0.43) GAAKDM4EALDH1A1SSTR5MEN1
SCHEMBL5114802 0.77 SCN9A (0.46) SCN9APOLBSMN1; SMN2
SCHEMBL690623 0.76 RARG (0.41) GAAKDM4EALDH1A1MAPTMEN1

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
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 claimed