SCHEMBL28558686

SCHEMBL28558686

CC(C)(C)NC(=O)OC1CCN(c2cccnc2N)CC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.40
PRKCQ Q04759 6/20 0.40
PRKCA P17252 4/20 0.40
HTR2B P41595 3/20 0.40
GSK3B P49841 3/20 0.40
FLT3 P36888 2/20 0.40
GAA P10253 1/20 0.40
SMO Q99835 1/20 0.39
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
CCNE1 P24864 3/20 0.38
CDK2 P24941 3/20 0.38
GPR119 Q8TDV5 2/20 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
SCHEMBL27790954 0.84 GAA (0.51) GAA
SCHEMBL28552653 0.83 CTSB (0.41) HRH3GAASMOADRA1DADRA1A
SCHEMBL28558248 0.82 PRKCQ (0.40) HRH3PRKCQPRKCAHTR2BGSK3B
SCHEMBL27718626 0.81 HTR7 (0.47) HRH3GSK3BSMOADRA1DADRA1A
SCHEMBL27643781 0.81 TRPV1 (0.56)
SCHEMBL17531192 0.78 CKS1B (0.54)
SCHEMBL27718554 0.78 CHRM3 (0.38) HRH3SMOADRA1DADRA1AADRA1B
SCHEMBL27643841 0.77 KDM4E (0.57) HRH3
SCHEMBL27845996 0.77 ALDH1A1 (0.56)
SCHEMBL27909327 0.77 LGMN (0.44) GAAGPR119

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
CN-113214246-A Protein kinase C inhibitors and methods of their use 诺华股份有限公司 2021-08-06 CN disclosed
CN-106795151-B Protein kinase C inhibitors and methods of their use 诺华股份有限公司 2021-05-07 CN disclosed