SCHEMBL9726203

SCHEMBL9726203

O=S1(=O)Nc2cccc3cccc(c23)N1CCCN1CC=C(c2ccccc2)CC1

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.45
HTR1A P08908 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR7 P34969 1/20 0.44
HTR2B P41595 1/20 0.44
HTR6 P50406 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 0.85 PARP1 (0.47) PARP1
SCHEMBL9757450 0.85 HTR7 (0.61) HTR7
SCHEMBL9757173 0.82 HTR7 (0.64) HTR1AHTR2AHTR7HTR6
SCHEMBL9726199 0.82 HTR7 (0.44) PARP1HTR7
SCHEMBL9757629 0.78 HTR7 (0.54) HTR7
SCHEMBL9757570 0.76
SCHEMBL9757207 0.76
SCHEMBL9757339 0.76 HTR1A (0.66) HTR1AHTR2AHTR2CHTR7HTR6
SCHEMBL9757366 0.75 HTR7 (0.49) HTR7
Hydrochloric Acid SCHEMBL9757178 0.74 HTR7 (0.48) 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