SCHEMBL8917705

SCHEMBL8917705

CCc1c(CCN2CCC(c3cc4ccccc4s3)CC2)sc2c1CCN(C(C)=O)C2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.52
SLC6A4 P31645 1/20 0.52
MAPT P10636 10/20 0.39
TP53 P04637 8/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
GAA P10253 1/20 0.39
MCHR1 Q99705 2/20 0.39
NPSR1 Q6W5P4 2/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.37
THRB P10828 1/20 0.36
HTR3A P46098 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36

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
SCHEMBL8916930 0.93 SLC6A4 (0.52) DRD2SLC6A4MAPTTP53ALDH1A1
SCHEMBL8916426 0.90 MAPT (0.40) DRD2SLC6A4MAPTTP53MEN1
SCHEMBL8917035 0.85 ACHE (0.46) MAPTTP53ALDH1A1KDM4EMEN1
SCHEMBL8916713 0.83 SLC6A4 (0.39) DRD2SLC6A4MAPTTP53ALDH1A1
SCHEMBL8917325 0.80 MAPT (0.40) DRD2SLC6A4MAPTTP53ALDH1A1
SCHEMBL8917865 0.80 MAPT (0.38) DRD2MAPTTP53MEN1KMT2A
SCHEMBL8916920 0.80 CTSS (0.41) DRD2MAPTTP53MEN1KMT2A
SCHEMBL8919111 0.79 DRD2 (0.51) DRD2SLC6A4
SCHEMBL8916709 0.79 CTSS (0.49) DRD2SLC6A4MAPTTP53MEN1
SCHEMBL8919136 0.79 CTSS (0.40) MAPTTP53GAAMCHR1

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
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