SCHEMBL8916845

SCHEMBL8916845

Cc1ccc2occ(C3CCN(CCc4cc5c(s4)C(=O)NCCC5)CC3)c2c1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 15/20 0.39
SLC6A4 P31645 1/20 0.39
HTR2A P28223 14/20 0.36
DRD3 P35462 12/20 0.36
HTR1A P08908 2/20 0.36
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL8919063 0.94 DRD2 (0.40) DRD2SLC6A4HTR2ADRD3HTR1A
SCHEMBL8916475 0.85 DRD2 (0.40) DRD2SLC6A4HTR2ADRD3HTR1A
SCHEMBL8916973 0.77 DRD2 (0.40) DRD2SLC6A4HTR2ADRD3HTR1A
SCHEMBL8916470 0.75 DRD2 (0.37) DRD2SLC6A4HTR2ADRD3HTR1A
SCHEMBL8919173 0.73 ACHE (0.58) DRD2SLC6A4HTR2ADRD3HTR1A
SCHEMBL8917179 0.72 DRD2 (0.40) DRD2SLC6A4HTR2ADRD3HTR1A
SCHEMBL8918733 0.70 DRD2 (0.38) DRD2SLC6A4HTR2ADRD3HTR1A
Hydrochloric Acid SCHEMBL7949395 0.67 HTR2A (0.48) DRD2SLC6A4HTR2ADRD3HTR1A
SCHEMBL7960259 0.67 DRD2 (0.48) DRD2SLC6A4HTR2ADRD3
SCHEMBL8916891 0.67 DRD2 (0.38) DRD2SLC6A4HTR2ADRD3HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5691330-A ANTIPSYCHOTIC AGENT YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-11-25 US claimed
US-5691330-A ANTIPSYCHOTIC AGENT YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-11-25 US disclosed
US-5532240-A ANTIPSYCHOTIC AGENTS AND ANTISEROTONIN AGENTS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1996-07-02 US disclosed