SCHEMBL24011990

SCHEMBL24011990

CO[C@@H]1C[C@H](C)N(C(=O)OCc2ccccc2)C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.53
PDK1 Q15118 1/20 0.49
PDK2 Q15119 1/20 0.49
PDK3 Q15120 1/20 0.49
PDK4 Q16654 1/20 0.49
CACNA1G O43497 1/20 0.46
CACNA1H O95180 1/20 0.46
CACNA1I Q9P0X4 1/20 0.46
PSEN1 P49768 1/20 0.45
PSEN2 P49810 1/20 0.45
APH1B Q8WW43 1/20 0.45
NCSTN Q92542 1/20 0.45
APH1A Q96BI3 1/20 0.45
PSENEN Q9NZ42 1/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
PREP P48147 2/20 0.45
POLB P06746 1/20 0.44
HCRTR2 O43614 1/20 0.43

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
SCHEMBL19287232 0.88 HTR2C (0.52) HTR2CPDK1PDK2PDK3PDK4
SCHEMBL12849550 0.86 PDK1 (0.52) HTR2CPDK1PDK2PDK3PDK4
SCHEMBL23364640 0.86 PDK1 (0.52) HTR2CPDK1PDK2PDK3PDK4
SCHEMBL5517082 0.86 HTR2C (0.64) HTR2CPDK1PDK2PDK3PDK4
SCHEMBL5517077 0.86 HTR2C (0.64) HTR2CPDK1PDK2PDK3PDK4
SCHEMBL10053573 0.86 HTR2C (0.64) HTR2CPDK1PDK2PDK3PDK4
SCHEMBL1150967 0.86 POLB (0.48) HTR2CPSEN1PSEN2APH1BNCSTN
SCHEMBL3644432 0.86 POLB (0.48) HTR2CPSEN1PSEN2APH1BNCSTN
SCHEMBL7370454 0.86 POLB (0.48) HTR2CPSEN1PSEN2APH1BNCSTN
SCHEMBL1269759 0.86 POLB (0.48) HTR2CPSEN1PSEN2APH1BNCSTN

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-3355890-B1 HUMAN PLASMA KALLIKREIN INHIBITORS BIOCRYST PHARM INC (US) 2021-11-10 EP disclosed