SCHEMBL691322

SCHEMBL691322

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

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 1/20 0.38
CYP2C19 P33261 2/20 0.36
PARP1 P09874 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MTNR1B P49286 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
SLC9A1 P19634 1/20 0.35

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
SCHEMBL690355 0.87 GAA (0.40) SSTR5KDM4EMEN1KMT2A
SCHEMBL5118350 0.87 POLB (0.42) SSTR5KDM4EMEN1CYP2C9ALOX15
SCHEMBL5124004 0.84 HCRTR1 (0.42) SSTR5KDM4EALOX15
SCHEMBL689686 0.81 SSTR5 (0.42) SSTR5PARP1PARP2KDM4EMEN1
SCHEMBL689162 0.79 SSTR5 (0.41) SSTR5KDM4EMEN1KMT2A
SCHEMBL5119234 0.77 SCN9A (0.43) CYP2C19KDM4EMEN1ALOX15TSHR
SCHEMBL689665 0.75 MAPT (0.41) KDM4EMEN1KMT2A
SCHEMBL690226 0.75 ALDH1A1 (0.43) SSTR5KDM4EMEN1KMT2A
SCHEMBL5114802 0.74 SCN9A (0.46) SLC9A1
SCHEMBL690623 0.73 RARG (0.41) PARP1PARP2KDM4EMEN1TSHR

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