SCHEMBL689162

SCHEMBL689162

CCN(CC)C1CCN(Cc2cc(C(C)(C)C)cc(C(N)=O)c2OC)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 2/20 0.41
ALDH1A1 P00352 6/20 0.38
KDM4E B2RXH2 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPK1 P28482 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
OPRM1 P35372 2/20 0.36
OPRD1 P41143 2/20 0.36
ACHE P22303 1/20 0.36
HTR4 Q13639 1/20 0.36
NPSR1 Q6W5P4 2/20 0.35
ACKR3 P25106 1/20 0.35
RECQL P46063 1/20 0.34
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.33
XBP1 P17861 1/20 0.33
HTT P42858 1/20 0.33
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
SCHEMBL689686 0.90 SSTR5 (0.42) SSTR5ALDH1A1KDM4EMEN1KMT2A
SCHEMBL5118350 0.84 POLB (0.42) SSTR5ALDH1A1KDM4EMEN1KMT2A
SCHEMBL690355 0.82 GAA (0.40) SSTR5ALDH1A1KDM4EMEN1KMT2A
SCHEMBL5124004 0.81 HCRTR1 (0.42) SSTR5ALDH1A1KDM4EMAPK1LMNA
SCHEMBL690226 0.80 ALDH1A1 (0.43) SSTR5ALDH1A1KDM4EMEN1KMT2A
SCHEMBL691322 0.79 SSTR5 (0.38) SSTR5KDM4EMEN1KMT2A
SCHEMBL5119234 0.76 SCN9A (0.43) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL689738 0.74 PKM (0.41) ALDH1A1KDM4EMEN1KMT2AMAPK1
SCHEMBL5110866 0.74 CYP2C19 (0.50) ALDH1A1KDM4EMEN1KMT2AMAPK1
SCHEMBL5114802 0.73 SCN9A (0.46) POLB

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