SCHEMBL14279031

SCHEMBL14279031

CC(C)NC(=O)CN[C@H]1CC[C@H](O)CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.43
EPHX2 P34913 1/20 0.39
DPP4 P27487 3/20 0.38
METAP1 P53582 1/20 0.38
DPP7 Q9UHL4 2/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.35
FAAH O00519 1/20 0.34
MAPK1 P28482 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM3 P20309 1/20 0.34
PSMB5 P28074 2/20 0.33
EPHX1 P07099 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
SCHEMBL18743820 0.93 KDM1A (0.47) KDM1ADPP4METAP1DPP7MEN1
SCHEMBL13793412 0.79 EPHX2 (0.43) KDM1AEPHX2DPP4METAP1DPP7
SCHEMBL12258085 0.79 KDM1A (0.39) KDM1ADPP4METAP1DPP7MEN1
SCHEMBL26292943 0.75 EPHX2 (0.46) EPHX2DPP4METAP1DPP7MEN1
SCHEMBL7519699 0.74 CA12 (0.51) EPHX2DPP7MEN1KMT2AKDM4E
SCHEMBL7077493 0.72 EPHX2 (0.48) EPHX2DPP4METAP1DPP7MEN1
SCHEMBL7764226 0.72 EPHX2 (0.48) EPHX2DPP4METAP1DPP7MEN1
SCHEMBL23222183 0.72 EPHX2 (0.42) EPHX2KMT2AHTTEPHX1
SCHEMBL12521938 0.72 EPHX2 (0.65) EPHX2KDM4EEPHX1
SCHEMBL23165798 0.72 EPHX2 (0.43) EPHX2DPP4METAP1DPP7KDM4E

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
US-7320986-B2 Fused tri and tetra-cyclic pyrazole kinase inhibitors ABBOTT LABORTORIES (US) 2008-01-22 US disclosed
US-7320986-B2 Fused tri and tetra-cyclic pyrazole kinase inhibitors ABBOTT LABORTORIES (US) 2008-01-22 US disclosed