SCHEMBL1189314

SCHEMBL1189314

C[C@@H]1[C@@H](C)N(C(=O)OCc2ccccc2)CCN1C

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.52
PDK1 Q15118 1/20 0.51
PDK2 Q15119 1/20 0.51
PDK3 Q15120 1/20 0.51
PDK4 Q16654 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
ACE2 Q9BYF1 1/20 0.48
CYP2C19 P33261 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
PSEN1 P49768 1/20 0.47
PSEN2 P49810 1/20 0.47
APH1B Q8WW43 1/20 0.47
NCSTN Q92542 1/20 0.47
APH1A Q96BI3 1/20 0.47
PSENEN Q9NZ42 1/20 0.47

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
SCHEMBL1189692 1.00 HTR2C (0.52) HTR2CPDK1PDK2PDK3PDK4
SCHEMBL1189578 1.00 HTR2C (0.52) HTR2CPDK1PDK2PDK3PDK4
SCHEMBL1190558 1.00 HTR2C (0.52) HTR2CPDK1PDK2PDK3PDK4
SCHEMBL1189693 1.00 HTR2C (0.52) HTR2CPDK1PDK2PDK3PDK4
SCHEMBL1190456 0.81 ADRA1D (0.52) SMN1; SMN2NPC1RAB9AACE2CYP2C19
SCHEMBL1188968 0.81 ADRA1D (0.52) SMN1; SMN2NPC1RAB9AACE2CYP2C19
SCHEMBL1190766 0.81 ADRA1D (0.52) SMN1; SMN2NPC1RAB9AACE2CYP2C19
SCHEMBL1642226 0.81 SMN1; SMN2 (0.53) HTR2CSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL31211088 0.81 SMN1; SMN2 (0.53) HTR2CSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL19419802 0.81 SMN1; SMN2 (0.53) HTR2CSMN1; SMN2NPC1RAB9ACYP2C19

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
US-7893056-B2 Peptide deformylase inhibitors GLAXOSMITHKLINE LLC (US) 2011-02-22 US disclosed