SCHEMBL20149913

SCHEMBL20149913

COc1ccc(C)cc1N1CCC(NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SUV39H2 Q9H5I1 10/20 0.48
CFTR P13569 2/20 0.47
CKS1B P61024 1/20 0.47
SKP1 P63208 1/20 0.47
SKP2 Q13309 1/20 0.47
KDM4D Q6B0I6 2/20 0.46
CACNB4 O00305 1/20 0.44
CACNA1A O00555 1/20 0.44
CACNA1G O43497 1/20 0.44
CACNG3 O60359 1/20 0.44
CACNA1F O60840 1/20 0.44
CACNA1H O95180 1/20 0.44
CACNB3 P54284 1/20 0.44
CACNA2D1 P54289 1/20 0.44
CACNG7 P62955 1/20 0.44
CACNA1B Q00975 1/20 0.44
CACNA1D Q01668 1/20 0.44
CACNB1 Q02641 1/20 0.44
CACNG1 Q06432 1/20 0.44
CACNB2 Q08289 1/20 0.44

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
SCHEMBL26484666 0.91 SUV39H2 (0.50) SUV39H2CFTRCKS1BSKP1SKP2
SCHEMBL4443945 0.85 CKS1B (0.47) CKS1BSKP1SKP2
SCHEMBL20133857 0.84 DRD2 (0.60) SUV39H2CKS1BSKP1SKP2CACNB4
SCHEMBL4442557 0.82 CKS1B (0.47) CKS1BSKP1SKP2NPC1RAB9A
SCHEMBL15759214 0.82 CKS1B (0.47) CKS1BSKP1SKP2KDM4D
SCHEMBL12069190 0.82 CKS1B (0.45) SUV39H2CKS1BSKP1SKP2LMNA
SCHEMBL4555192 0.81 DRD2 (0.48) CKS1BSKP1SKP2LMNA
SCHEMBL38659211 0.80 KDM4E (0.49) SUV39H2CFTRCKS1BSKP1SKP2
SCHEMBL517675 0.80 SUV39H2 (0.45) SUV39H2CFTRCKS1BSKP1SKP2
SCHEMBL17384450 0.79 PIM1 (0.59) SUV39H2CKS1BSKP1SKP2KDM4D

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-2018089499-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed