SCHEMBL15623988

SCHEMBL15623988

CCOCn1cnc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
LMNA P02545 2/20 0.45
ALDH1A1 P00352 1/20 0.45
MET P08581 2/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
PDK2 Q15119 1/20 0.43
TSHR P16473 1/20 0.43
GPR119 Q8TDV5 3/20 0.42
MAP4K4 O95819 1/20 0.42
HTT P42858 2/20 0.42
MAPK1 P28482 1/20 0.42
PTGDR Q13258 1/20 0.41
CYP2C19 P33261 1/20 0.41
CKS1B P61024 1/20 0.41
SKP1 P63208 1/20 0.41
SKP2 Q13309 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
EGLN2 Q96KS0 1/20 0.41

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
SCHEMBL2142144 0.89 MAPT (0.42) MAPTLMNAALDH1A1METSMN1; SMN2
SCHEMBL2143583 0.85 PDK2 (0.40) MAPTLMNAALDH1A1METSMN1; SMN2
SCHEMBL2128838 0.82 MAPT (0.43) MAPTLMNAALDH1A1METSMN1; SMN2
SCHEMBL2127475 0.79 PDK2 (0.41) MAPTLMNAALDH1A1METSMN1; SMN2
SCHEMBL2143368 0.79 PDK2 (0.41) MAPTLMNAALDH1A1METSMN1; SMN2
SCHEMBL20242567 0.75 MET (0.47) MAPTLMNAALDH1A1METSMN1; SMN2
SCHEMBL14851865 0.74 SMN1; SMN2 (0.48) MAPTLMNAALDH1A1METSMN1; SMN2
SCHEMBL1919429 0.72 ENPP2 (0.55)
SCHEMBL5573222 0.72 MAPT (0.76) MAPTLMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL24378197 0.72 MAPT (0.61) MAPTLMNAALDH1A1SMN1; SMN2MEN1

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
EP-2424843-B1 IMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF CYCLIN DEPENDENT KINASES NOVARTIS AG (CH) 2014-03-26 EP disclosed