SCHEMBL9726208

SCHEMBL9726208

CS(=O)(=O)N(CCCN1CC=C(c2ccccc2)CC1)c1cccc2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.48
DRD4 P21917 1/20 0.48
PARP1 P09874 8/20 0.46
GAA P10253 1/20 0.44
HTT P42858 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
SCHEMBL9726244 0.74 HTR7 (0.50) HTR1APARP1
SCHEMBL9726234 0.73 HTR7 (0.49) PARP1
SCHEMBL14601668 0.69 SIGMAR1 (0.60) HTR1A
SCHEMBL354297 0.69 SIGMAR1 (0.58) HTR1APARP1
SCHEMBL9093176 0.68 GAA (0.53) HTR1ADRD4PARP1GAAHTT
SCHEMBL256663 0.68 SIGMAR1 (0.63) HTR1APARP1
SCHEMBL6795806 0.67 PARP1 (0.78) PARP1
SCHEMBL9867159 0.67 SIGMAR1 (0.60) HTR1ADRD4
SCHEMBL5541146 0.67 SIGMAR1 (0.60) HTR1A
SCHEMBL9726237 0.67 SIGMAR1 (0.60) HTR1A

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