SCHEMBL8501145

SCHEMBL8501145

CO[C@H]1CN(CCC#N)CC[C@H]1OC(=O)c1cc(Cl)c(N)c2c1OC(C)(C)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 9/20 0.37
HTR3A P46098 3/20 0.37
ADRA2C P18825 2/20 0.37
ADRA1A P35348 2/20 0.37
KCNH2 Q12809 2/20 0.37
HTR1A P08908 1/20 0.37
ACHE P22303 1/20 0.37
PTGS1 P23219 1/20 0.37
HTR2C P28335 2/20 0.37
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 1/20 0.37
LMNA P02545 1/20 0.36
ADRA2A P08913 1/20 0.36
THRB P10828 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
SCHEMBL8501152 1.00 HTR4 (0.37) HTR4HTR3AADRA2CADRA1AKCNH2
SCHEMBL9281004 0.86 HTR4 (0.49) HTR4HTR3AADRA2CADRA1AKCNH2
SCHEMBL8503870 0.86 HTR4 (0.49) HTR4HTR3AADRA2CADRA1AKCNH2
SCHEMBL13036099 0.85 HTR4 (0.42) HTR4HTR3AADRA2CADRA1AKCNH2
SCHEMBL13036100 0.82 HTR4 (0.40) HTR4HTR3AADRA2CADRA1AKCNH2
SCHEMBL8499970 0.79 GPR119 (0.33) HTR4HTR3AADRA2CADRA1AKCNH2
SCHEMBL8499965 0.79 GPR119 (0.33) HTR4HTR3AADRA2CADRA1AKCNH2
SCHEMBL8496525 0.77 HTR4 (0.42) HTR4HTR3AADRA2CADRA1AKCNH2
SCHEMBL8500356 0.76 HTR4 (0.41) HTR4HTR3AADRA2CADRA1AKCNH2
SCHEMBL8500359 0.76 HTR4 (0.41) HTR4HTR3AADRA2CADRA1AKCNH2

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-0784620-B1 N-SUBSTITUTED PIPERIDINYL BICYCLIC BENZOATE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 1999-12-08 EP disclosed