SCHEMBL7457394

SCHEMBL7457394

C=CC(C)(C)C1CN(c2cccc(S(=O)(=O)C(F)(F)F)c2)CCN1

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.38
NR1H2 P55055 18/20 0.37
NR1H3 Q13133 16/20 0.37

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
SCHEMBL7450604 0.78 PRKCQ (0.42) HTR6NR1H2NR1H3
SCHEMBL7448850 0.75 NR1H2 (0.41) HTR6NR1H2NR1H3
SCHEMBL3454917 0.74 HTR6 (0.65) HTR6
Hydrochloric Acid SCHEMBL11370762 0.73 HTR6 (0.63) HTR6
SCHEMBL7134126 0.70 HSD11B1 (0.40) NR1H2
SCHEMBL7134133 0.70 HSD11B1 (0.40) NR1H2
SCHEMBL2301921 0.69 LMNA (0.64) HTR6
SCHEMBL19214303 0.67 DRD2 (0.51) HTR6NR1H2NR1H3
SCHEMBL8270700 0.67 LMNA (0.57) HTR6
SCHEMBL21442524 0.67 DRD2 (0.51) HTR6NR1H2NR1H3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1240141-A1 NEW MODULATORS OF DOPAMINE NEUROTRANSMISSION A. Carlsson Research AB (SE) 2002-09-18 EP disclosed
WO-2001046144-A1 NEW MODULATORS OF DOPAMINE NEUROTRANSMISSION A. CARLSSON RESEARCH AB (SE) 2001-06-28 WO disclosed