SCHEMBL8918401

SCHEMBL8918401

CCc1c(CCN2CCC(c3nsc4cc(F)ccc34)CC2)sc2c1CCN(C(C)=O)C2

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.49
HTR1B P28222 1/20 0.49
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HTR2A P28223 5/20 0.37
HTR7 P34969 5/20 0.37
DRD2 P14416 4/20 0.37
GRM4 Q14833 3/20 0.37
CYP1A2 P05177 1/20 0.37
CTSS P25774 2/20 0.37
KCNH2 Q12809 4/20 0.36
MCHR1 Q99705 2/20 0.36
CCR3 P51677 1/20 0.35

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
SCHEMBL8917540 0.94 HTR1D (0.49) HTR1DHTR1BHTR2AHTR7DRD2
SCHEMBL8916920 0.86 CTSS (0.41) TP53GAAMAPTHTR2AHTR7
SCHEMBL8918089 0.86 DRD2 (0.54) HTR2AHTR7DRD2KCNH2
SCHEMBL8916709 0.85 CTSS (0.49) HTR1DHTR1BTP53GAAMAPT
SCHEMBL8919136 0.85 CTSS (0.40) TP53GAAMAPTHTR2AHTR7
SCHEMBL8916426 0.85 MAPT (0.40) TP53GAAMAPTDRD2CTSS
Hydrochloric Acid SCHEMBL8920486 0.85 CTSS (0.48) HTR1DHTR1BTP53GAAMAPT
Oxalic Acid SCHEMBL8919160 0.84 TP53 (0.39) TP53GAAMAPTHTR2AHTR7
Oxalic Acid SCHEMBL8991806 0.84 CTSS (0.40) TP53GAAMAPTHTR2AHTR7
Oxalic Acid SCHEMBL8919091 0.83 CTSS (0.43) TP53GAAMAPTCTSSMCHR1

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