SCHEMBL8487398

SCHEMBL8487398

Bc1ccc(C(=O)NC2CCN(C(=O)c3ccc4c(c3)CCN(C)C4)C2)s1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.44
CCNK O75909 3/20 0.43
CDK12 Q9NYV4 3/20 0.43
KDM5A P29375 4/20 0.37
HDAC6 Q9UBN7 4/20 0.37
HDAC8 Q9BY41 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
MCHR1 Q99705 1/20 0.36
L3MBTL3 Q96JM7 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CRBN Q96SW2 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
PDK2 Q15119 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
SCHEMBL3308187 0.89 F10 (0.56) F10CCNKCDK12KDM5AMCHR1
SCHEMBL3300888 0.89 ALDH1A1 (0.45) F10CCNKCDK12KDM5AHDAC6
SCHEMBL3306427 0.89 F10 (0.56) F10CCNKCDK12KDM5AMCHR1
SCHEMBL3305721 0.89 F10 (0.56) F10CCNKCDK12KDM5AMCHR1
SCHEMBL3311836 0.86 F10 (0.42) F10CCNKCDK12KDM5AHDAC6
SCHEMBL3310161 0.86 F10 (0.57) F10CCNKCDK12KDM5AMCHR1
SCHEMBL3312666 0.86 F10 (0.57) F10CCNKCDK12KDM5AMCHR1
SCHEMBL3306214 0.86 ALDH1A1 (0.47) F10CCNKCDK12KDM5AHDAC6
SCHEMBL3307351 0.86 F10 (0.57) F10CCNKCDK12KDM5AMCHR1
SCHEMBL3309468 0.86 F10 (0.57) F10CCNKCDK12KDM5AMCHR1

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-1975165-A1 Substituted pyrrolidinamides, their production and utilisation as medicine Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2008-10-01 EP disclosed