SCHEMBL175520

SCHEMBL175520

CN(C)Cc1ccc2c(c1)CCN(C(=O)c1cc3ccccc3n1C)C2.Cn1c(C(=O)NCc2ccc3c(c2)CCN(C2CCCC2)C3)cc2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
QRFPR Q96P65 13/20 0.57
KCNH2 Q12809 3/20 0.57
CYP2D6 P10635 1/20 0.57
KCNE1 P15382 1/20 0.57
SCN5A Q14524 1/20 0.57
ROCK2 O75116 4/20 0.40
HDAC6 Q9UBN7 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL116750 0.89 ROCK2 (0.46) CYP2D6ROCK2MEN1KMT2AL3MBTL1
SCHEMBL118962 0.89 ROCK2 (0.45) CYP2D6ROCK2MEN1KMT2AL3MBTL1
SCHEMBL118485 0.88 ROCK2 (0.46) CYP2D6ROCK2MEN1KMT2AL3MBTL1
SCHEMBL116962 0.84 QRFPR (0.77) QRFPRKCNH2CYP2D6KCNE1SCN5A
SCHEMBL566537 0.82 ROCK2 (0.44) ROCK2MEN1KMT2AL3MBTL1
SCHEMBL117808 0.79 QRFPR (0.63) QRFPRKCNH2CYP2D6KCNE1SCN5A
SCHEMBL117974 0.78 QRFPR (0.68) QRFPRKCNH2CYP2D6KCNE1SCN5A
SCHEMBL119128 0.77 QRFPR (0.58) QRFPRKCNH2CYP2D6KCNE1SCN5A
SCHEMBL566626 0.77 ROCK2 (0.59) ROCK2MEN1KMT2AL3MBTL1
SCHEMBL118024 0.76 QRFPR (0.56) QRFPRKCNH2CYP2D6KCNE1SCN5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424861-A1 INDOLE-2-CARBOXAMIDE DERIVATIVE MSD K.K. (JP) 2012-03-07 EP claimed
WO-2010126164-A1 INDOLE-2-CARBOXAMIDE DERIVATIVE BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-11-04 WO claimed