SCHEMBL9726225

SCHEMBL9726225

O=S1(=O)N(CCCN2CC=C(c3ccccc3)CC2)c2cccc3cccc(c23)N1CCCN1CC=C(c2ccccc2)CC1

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.47
SIGMAR1 Q99720 1/20 0.46

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
SCHEMBL9726199 0.94 HTR7 (0.44) PARP1
SCHEMBL9757450 0.88 HTR7 (0.61)
SCHEMBL9757173 0.86 HTR7 (0.64)
SCHEMBL9726203 0.85 PARP1 (0.45) PARP1
SCHEMBL9757629 0.81 HTR7 (0.54)
SCHEMBL9726239 0.79 HTR2A (0.57) PARP1SIGMAR1
SCHEMBL9757570 0.79
SCHEMBL9757339 0.79 HTR1A (0.66) SIGMAR1
SCHEMBL9757207 0.79
SCHEMBL9757366 0.78 HTR7 (0.49)

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