SCHEMBL764713

SCHEMBL764713

C[C@@H]1CN(Cc2ccccc2)CC[C@H]1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.47
SCN1A P35498 2/20 0.44
SCN8A Q9UQD0 2/20 0.44
HTR2A P28223 1/20 0.44
RECQL P46063 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
BCHE P06276 5/20 0.42
BACE1 P56817 5/20 0.42
DRD2 P14416 2/20 0.40
DRD4 P21917 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL14457009 1.00 ACHE (0.47) ACHESCN1ASCN8AHTR2ARECQL
SCHEMBL12347368 0.89 PTPN1 (0.42) ACHEHTR2ARECQLSMN1; SMN2DRD2
SCHEMBL5744578 0.86 ACHE (0.50) ACHESCN1ASCN8AHTR2ARECQL
SCHEMBL13521597 0.82 HTR2A (0.48) ACHEHTR2ABCHEBACE1CYP1A2
SCHEMBL2241410 0.82 FUCA1 (0.45) HTR2ADRD2DRD4
SCHEMBL5743822 0.80 HTR6 (0.50) ACHESCN1ASCN8AHTR2ASMN1; SMN2
SCHEMBL15740800 0.79 ACHE (0.57) ACHEBCHEBACE1DRD2DRD4
SCHEMBL17438235 0.79 ACHE (0.57) ACHEBCHEBACE1DRD2DRD4
SCHEMBL15749333 0.79 ACHE (0.57) ACHEBCHEBACE1DRD2DRD4
SCHEMBL7225784 0.76 CYP2D6 (0.53) ACHEBCHECYP2D6CYP2C19

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-2050745-B1 N-PYRIDYLPIPERIDINE COMPOUND, METHOD FOR PRODUCING THE SAME, AND PEST CONTROL AGENT OTSUKA AGRITECHNO CO LTD (JP) 2012-03-21 EP disclosed