SCHEMBL29697704

SCHEMBL29697704

CC(C)(C)OC(=O)N1CCn2cc(CO)nc2C1.CC(C)(C)OC(=O)N1CCn2cc(CO)nc2C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.40
HTT P42858 1/20 0.39
ATM Q13315 1/20 0.39
ESR2 Q92731 1/20 0.39
MAPT P10636 2/20 0.38
ALDH1A1 P00352 2/20 0.38
GPR119 Q8TDV5 2/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
ACHE P22303 1/20 0.38
POLB P06746 1/20 0.37
CKS1B P61024 1/20 0.37
SKP1 P63208 1/20 0.37
SKP2 Q13309 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36

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
SCHEMBL15882223 1.00 NR1H2 (0.40) NR1H2HTTATMESR2MAPT
SCHEMBL16741058 0.86 NR1H2 (0.41) NR1H2HTTATMESR2MAPT
SCHEMBL31346862 0.84 ESR2 (0.38) NR1H2HTTATMESR2MAPT
SCHEMBL2751778 0.84 PREP (0.38) NR1H2HTTATMESR2ALDH1A1
SCHEMBL4401573 0.83 GPR119 (0.47) NR1H2HTTATMGPR119MAPK1
SCHEMBL15882625 0.83 SMN1; SMN2 (0.45)
SCHEMBL4400858 0.82 GPR119 (0.46) NR1H2MAPTALDH1A1GPR119LMNA
SCHEMBL15933470 0.82 NR1H2 (0.41) NR1H2HTTATMESR2MAPT
SCHEMBL1817445 0.81 ADORA1 (0.42) NR1H2HTTATMESR2MAPT
SCHEMBL14553991 0.81 MGLL (0.43) NR1H2HTTATMESR2MAPT

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-4010333-A1 PLASMA KALLIKREIN INHIBITORS Kalvista Pharmaceuticals Limited (GB) 2022-06-15 EP disclosed