SCHEMBL3364565

SCHEMBL3364565

CC(C)(C)N1CCC2CN(C(=O)O)CC21

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.32
KMT5A Q9NQR1 1/20 0.32
DPP4 P27487 1/20 0.31
HSD11B1 P28845 2/20 0.31
LMNA P02545 1/20 0.30
USP30 Q70CQ3 1/20 0.30
GPR119 Q8TDV5 1/20 0.30

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
SCHEMBL652131 1.00 HTT (0.32) HTTKMT5ADPP4HSD11B1LMNA
SCHEMBL652986 1.00 HTT (0.32) HTTKMT5ADPP4HSD11B1LMNA
SCHEMBL15946734 0.86 CHRNB2 (0.43) HTTKMT5ADPP4HSD11B1
SCHEMBL21707130 0.81 TEAD1 (0.46)
SCHEMBL9790975 0.77 KMT5A (0.42) KMT5A
SCHEMBL21707126 0.74 TEAD1 (0.47)
SCHEMBL4798583 0.74 USP30 (0.38) DPP4HSD11B1USP30
SCHEMBL4887983 0.74 CHRNB2 (0.36) DPP4HSD11B1USP30
SCHEMBL3786744 0.72 CHRNB2 (0.33)
SCHEMBL2413966 0.72 HCRTR1 (0.45) KMT5ADPP4HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1515965-B1 PHENYLAMINOPYRIMIDINES AND THEIR USE AS RHO-KINASE INHIBITORS BAYER SCHERING PHARMA AG (DE) 2010-10-06 EP disclosed
EP-1515965-A1 PHENYLAMINOPYRIMIDINES AND THEIR USE AS RHO-KINASE INHIBITORS Bayer Aktiengesellschaft (DE) 2005-03-23 EP disclosed
WO-2003106450-A1 PHENYLAMINOPYRIMIDINES AND THEIR USE AS RHO-KINASE INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2003-12-24 WO disclosed