SCHEMBL8916906

SCHEMBL8916906

Cc1ccc2c(C3CC[N]CC3)csc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.38
SLC6A4 P31645 1/20 0.38
MAPT P10636 8/20 0.36
TP53 P04637 5/20 0.36
THRB P10828 2/20 0.36
LMNA P02545 1/20 0.36
CYP17A1 P05093 1/20 0.34
POLB P06746 1/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
CA2 P00918 1/20 0.31
USP2 O75604 1/20 0.30
PTGDR2 Q9Y5Y4 1/20 0.30
ALDH1A1 P00352 1/20 0.30
NFKB1 P19838 1/20 0.30
FPR1 P21462 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL8920077 0.88 MAPT (0.45) DRD2SLC6A4MAPTTP53THRB
SCHEMBL8917725 0.82 AVPR2 (0.39) DRD2SLC6A4MAPTTP53THRB
SCHEMBL4676653 0.78 SLC6A4 (0.55) DRD2SLC6A4MAPTTP53NPC1
SCHEMBL1365641 0.72 DRD2 (0.42) DRD2NPC1RAB9APTGDR2ALDH1A1
SCHEMBL5543574 0.72 GRM7 (0.39) SLC6A4TP53PTGDR2ALDH1A1HSD17B10
SCHEMBL8991823 0.70 DRD2 (0.35) DRD2SLC6A4
SCHEMBL8917044 0.70 MAPT (0.48) MAPTTP53THRBLMNAPOLB
SCHEMBL22860683 0.70 SLC6A4 (0.45) DRD2SLC6A4MAPTTP53THRB
SCHEMBL4676876 0.70 IDO1 (0.50) DRD2SLC6A4
SCHEMBL8918997 0.70 DRD2 (0.35) DRD2SLC6A4

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