SCHEMBL5508049

SCHEMBL5508049

c1cc(N2CCN(CCCOc3ccc4c(c3)CCNC4)CC2)c2ccsc2c1

nearest known ligand 0.93

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.71
HTR1A P08908 1/20 0.62
HTR2A P28223 1/20 0.62
KCNH2 Q12809 1/20 0.62

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
SCHEMBL1039550 0.96 DRD2 (0.71) DRD2HTR1AHTR2AKCNH2
Hydrochloric Acid SCHEMBL293576 0.86 DRD2 (0.75) DRD2
SCHEMBL1036530 0.84 DRD2 (0.72) DRD2HTR1AHTR2A
SCHEMBL1039789 0.84 DRD2 (0.67) DRD2HTR1AHTR2A
SCHEMBL1039673 0.84 DRD2 (0.69) DRD2
SCHEMBL5504467 0.83 DRD2 (0.72) DRD2
SCHEMBL1039707 0.83 DRD2 (1.00) DRD2
SCHEMBL1039560 0.83 DRD2 (0.87) DRD2
SCHEMBL1038131 0.83 DRD2 (0.70) DRD2
Hydrochloric Acid SCHEMBL1034597 0.83 DRD2 (0.68) DRD2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1869025-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENES FOR TREATMENT OF MENTAL DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-12-26 EP disclosed
WO-2006112464-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENES FOR TREATMENT OF MENTAL DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-10-26 WO disclosed