SCHEMBL9873403

SCHEMBL9873403

O=S1(=O)c2cccc3c(Cl)cc(Cl)c(c23)N1CCCN1CC=C(c2ccccc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.48

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
SCHEMBL9757528 0.86 PARP1 (0.47) PARP1
SCHEMBL9757450 0.78 HTR7 (0.61)
SCHEMBL9873768 0.78 HTR7 (0.44)
SCHEMBL9757173 0.76 HTR7 (0.64)
SCHEMBL9757401 0.76 HTR1A (0.38)
SCHEMBL9757366 0.75 HTR7 (0.49)
Hydrochloric Acid SCHEMBL9757178 0.74 HTR7 (0.48)
SCHEMBL9873171 0.73 SIGMAR1 (0.40)
SCHEMBL9757463 0.72 HTR7 (0.63)
SCHEMBL9757629 0.72 HTR7 (0.54)

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-5021420-A Antiserotonine agents; central nervous system, gastroin-testinal and cardiovascular disorders RHONE-POULENC SANTE (FR) 1991-06-04 US disclosed