SCHEMBL8917162

SCHEMBL8917162

Clc1ccc2occ(C3CC[N]CC3)c2c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.40
ALDH1A1 P00352 4/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
DRD2 P14416 2/20 0.35
SLC6A4 P31645 1/20 0.35
HRH4 Q9H3N8 8/20 0.35
HTR2A P28223 1/20 0.35
DRD3 P35462 1/20 0.35
HSD17B10 Q99714 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
KCNH2 Q12809 1/20 0.34
AHR P35869 1/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL8918420 0.82 PTPN1 (0.40) PTPN1KMT2ADRD2SLC6A4HRH4
SCHEMBL8920622 0.82 ALDH1A1 (0.39) ALDH1A1KMT2ADRD2SLC6A4HRH4
SCHEMBL8916173 0.82 PTPN1 (0.40) PTPN1ALDH1A1KMT2ADRD2SLC6A4
SCHEMBL29688867 0.82 KCNH2 (0.45) PTPN1KMT2ASLC6A4KCNH2
SCHEMBL4491304 0.82 KCNH2 (0.45) PTPN1KMT2ASLC6A4KCNH2
SCHEMBL6125296 0.79 DRD2 (0.48) ALDH1A1DRD2SLC6A4HRH4HTR2A
SCHEMBL8918815 0.78 ALDH1A1 (0.46) ALDH1A1LMNAKMT2AHSD17B10KDM4E
SCHEMBL7700928 0.78 DRD2 (0.55) ALDH1A1DRD2SLC6A4HTR2ADRD3
SCHEMBL8920208 0.77 PTPN1 (0.43) PTPN1ALDH1A1DRD2SLC6A4
SCHEMBL8917953 0.75 PSMB8 (0.40) ALDH1A1DRD2SLC6A4

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