SCHEMBL8917953

SCHEMBL8917953

Cc1cc2occ(C3CC[N]CC3)c2cc1C

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 4/20 0.40
ALOX15 P16050 1/20 0.36
ALDH1A1 P00352 1/20 0.36
DRD2 P14416 1/20 0.34
SLC6A4 P31645 1/20 0.34
CYP17A1 P05093 1/20 0.31
STS P08842 1/20 0.30

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
SCHEMBL8920208 0.88 PTPN1 (0.43) PSMB8ALDH1A1DRD2SLC6A4CYP17A1
SCHEMBL8917923 0.81 MAPT (0.39) PSMB8ALOX15ALDH1A1DRD2SLC6A4
SCHEMBL8920622 0.81 ALDH1A1 (0.39) PSMB8ALDH1A1DRD2SLC6A4CYP17A1
SCHEMBL20809221 0.81 HTR2C (0.49) PSMB8ALOX15ALDH1A1DRD2SLC6A4
Hydrochloric Acid SCHEMBL20135274 0.79 HTR2C (0.50) PSMB8ALOX15ALDH1A1SLC6A4
SCHEMBL8916173 0.75 PTPN1 (0.40) ALDH1A1DRD2SLC6A4
SCHEMBL8917162 0.75 PTPN1 (0.40) ALDH1A1DRD2SLC6A4
SCHEMBL8918420 0.75 PTPN1 (0.40) DRD2SLC6A4CYP17A1
SCHEMBL8917899 0.75 CYP11B1 (0.40) DRD2SLC6A4CYP17A1STS
SCHEMBL8916901 0.75 KCNA3 (0.36) PSMB8

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-5532240-A ANTIPSYCHOTIC AGENTS AND ANTISEROTONIN AGENTS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1996-07-02 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