SCHEMBL8917325

SCHEMBL8917325

CCc1c(CCN2CCC(c3csc4cccc(C)c34)CC2)sc2c1CCN(C(C)=O)C2

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.40
TP53 P04637 7/20 0.40
POLB P06746 1/20 0.40
MCHR1 Q99705 3/20 0.38
DRD2 P14416 1/20 0.37
SLC6A4 P31645 1/20 0.37
GAA P10253 1/20 0.35
THRB P10828 2/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 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
SCHEMBL8916943 0.88 TP53 (0.38) MAPTTP53POLBMCHR1DRD2
SCHEMBL8916433 0.86 TP53 (0.40) MAPTTP53POLBMCHR1DRD2
SCHEMBL8916959 0.86 TP53 (0.39) MAPTTP53POLBDRD2GAA
SCHEMBL8919123 0.84 DRD2 (0.39) MAPTTP53POLBMCHR1DRD2
SCHEMBL8915726 0.84 CTSS (0.40) MAPTTP53POLBMCHR1DRD2
SCHEMBL8916461 0.83 TP53 (0.40) MAPTTP53POLBMCHR1DRD2
Hydrochloric Acid SCHEMBL8916568 0.82 TP53 (0.39) MAPTTP53POLBMCHR1DRD2
SCHEMBL8916709 0.82 CTSS (0.49) MAPTTP53POLBMCHR1DRD2
Hydrochloric Acid SCHEMBL8920486 0.81 CTSS (0.48) MAPTTP53POLBMCHR1DRD2
SCHEMBL8917705 0.80 DRD2 (0.52) MAPTTP53POLBMCHR1DRD2

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