SCHEMBL14625699

SCHEMBL14625699

CNC(=O)O[C@@H](COC(N)=O)c1ccccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
CYP2D6 P10635 1/20 0.40
PKM P14618 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CASP1 P29466 1/20 0.39
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
CXCL8 P10145 1/20 0.36
ADRB2 P07550 2/20 0.35
ADRB1 P08588 2/20 0.35
AOC3 Q16853 1/20 0.35
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34
F9 P00740 1/20 0.34
F10 P00742 1/20 0.34
PLAU P00749 1/20 0.34

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
SCHEMBL8741030 0.86 CYP1A2 (0.46) CYP1A2SMN1; SMN2CYP2D6PKMNPSR1
SCHEMBL12561078 0.86 CYP1A2 (0.46) CYP1A2SMN1; SMN2CYP2D6PKMNPSR1
SCHEMBL14535117 0.84 SMN1; SMN2 (0.38) CYP1A2SMN1; SMN2CYP2D6PKMNPSR1
SCHEMBL13070934 0.82 CASP1 (0.44) CYP1A2SMN1; SMN2CYP2D6PKMNPSR1
SCHEMBL14228220 0.82 CYP1A2 (0.48) CYP1A2SMN1; SMN2CYP2D6PKMNPSR1
SCHEMBL13427300 0.82 CYP1A2 (0.48) CYP1A2SMN1; SMN2CYP2D6PKMNPSR1
SCHEMBL8198317 0.81 AVPR2 (0.38) SMN1; SMN2CYP2D6CASP1LMNACXCL8
SCHEMBL12561103 0.80 CASP1 (0.41) CYP1A2SMN1; SMN2CYP2D6PKMNPSR1
SCHEMBL13871693 0.80 CASP1 (0.41) CYP1A2SMN1; SMN2CYP2D6PKMNPSR1
SCHEMBL15078598 0.77 CYP1A2 (0.41) CYP1A2SMN1; SMN2CYP2D6PKMNPSR1

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-2007002906-A1 METHODS AND DOSAGE FORMS FOR REDUCING SIDE EFFECTS OF CARBAMATE COMPOUNDS ALZA CORPORATION (US) 2007-01-04 WO disclosed