SCHEMBL9726199

SCHEMBL9726199

CN1c2cccc3cccc(c23)N(CCCN2CC=C(c3ccccc3)CC2)S1(=O)=O

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.44
PARP1 P09874 1/20 0.44

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
SCHEMBL9726225 0.94 PARP1 (0.47) PARP1
SCHEMBL9757450 0.84 HTR7 (0.61) HTR7
SCHEMBL9757173 0.82 HTR7 (0.64) HTR7
SCHEMBL9726203 0.82 PARP1 (0.45) HTR7PARP1
SCHEMBL9757629 0.78 HTR7 (0.54) HTR7
SCHEMBL9757339 0.76 HTR1A (0.66) HTR7
SCHEMBL9757570 0.76
SCHEMBL9726239 0.76 HTR2A (0.57) HTR7PARP1
SCHEMBL9757207 0.76
SCHEMBL9871315 0.75 HTR7 (0.55) HTR7

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
US-5130313-A Central nervous system disorders, cardiovascular disorders or gastrointestinal disorders RHONE-POULENC SANTE (FR) 1992-07-14 US disclosed