SCHEMBL6855082

SCHEMBL6855082

CC(C)C[C@@H](N)c1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
CFTR P13569 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
GOPC Q9HD26 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP19A1 P11511 1/20 0.41
GAA P10253 1/20 0.40
KCNA5 P22460 2/20 0.39
AAK1 Q2M2I8 2/20 0.38
TAAR1 Q96RJ0 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL14151717 1.00 KDM4E (0.49) KDM4ECFTRSLC6A2SLC6A4SLC6A3
SCHEMBL19099791 0.89 KDM4E (0.49) KDM4ECFTRSLC6A2SLC6A4SLC6A3
SCHEMBL11408928 0.83 CFTR (0.62) KDM4ECFTRSLC6A2SLC6A4SLC6A3
SCHEMBL1037866 0.81 SLC6A4 (0.48) KDM4ECFTRSLC6A2SLC6A4SLC6A3
SCHEMBL3465672 0.81 SLC6A4 (0.48) KDM4ECFTRSLC6A2SLC6A4SLC6A3
SCHEMBL6855637 0.81 SLC6A4 (0.48) KDM4ECFTRSLC6A2SLC6A4SLC6A3
SCHEMBL29669002 0.81 SLC6A4 (0.48) KDM4ECFTRSLC6A2SLC6A4SLC6A3
SCHEMBL23689573 0.81 CFTR (0.48) KDM4ECFTRSLC6A2SLC6A4SLC6A3
SCHEMBL3662428 0.81 CFTR (0.48) KDM4ECFTRSLC6A2SLC6A4SLC6A3
SCHEMBL22060305 0.81 CFTR (0.48) KDM4ECFTRSLC6A2SLC6A4SLC6A3

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
WO-2011013644-A1 SUBSTITUTED PIPERIDINE COMPOUND 第一三共株式会社 (JP) 2011-02-03 WO disclosed