SCHEMBL3260330

SCHEMBL3260330

C=C(c1ccc2c(c1)c(C1CCN(C)CC1)cn2C)S(N)(=O)=O

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.44
SLC6A4 P31645 2/20 0.44
HTR6 P50406 1/20 0.43
RORC P51449 12/20 0.41
SCN9A Q15858 4/20 0.41
SCN5A Q14524 2/20 0.41

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
Oxalic Acid SCHEMBL9764587 0.79 RORC (0.46) DRD2SLC6A4HTR6RORCSCN9A
SCHEMBL7480785 0.79 HTR1D (0.60) HTR6
SCHEMBL27452055 0.78 RORC (0.47) DRD2SLC6A4HTR6RORCSCN9A
SCHEMBL1823282 0.75 HTR1A (0.49) DRD2SLC6A4HTR6RORC
SCHEMBL5367428 0.75 CYP1A2 (0.57) DRD2SLC6A4HTR6RORC
SCHEMBL3352752 0.75 HTR1B (0.57) DRD2SLC6A4HTR6RORC
SCHEMBL8602489 0.74 DRD2 (0.43) DRD2SLC6A4HTR6RORCSCN9A
Hydrochloric Acid SCHEMBL3262917 0.74 HTR1A (0.48) DRD2SLC6A4HTR6RORC
Oxalic Acid SCHEMBL27544244 0.72 MAPT (0.52) DRD2SLC6A4HTR6RORC
SCHEMBL9764630 0.72 DRD2 (0.53) DRD2SLC6A4HTR6RORC

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-2010004580-A2 PROCESS FOR PREPARING INDOLE DERIVATIVES IND-SWIFT LABORATORIES LIMITED (IN) 2010-01-14 WO disclosed