SCHEMBL8915727

SCHEMBL8915727

CCc1c(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)sc2c1CCN(C(C)=O)C2

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.52
HTR2A P28223 5/20 0.52
HTR7 P34969 4/20 0.52
HTR6 P50406 4/20 0.52
KDM4E B2RXH2 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
HSD11B1 P28845 2/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL8916680 0.93 HTR2C (0.52) HTR2CHTR2AHTR7HTR6KDM4E
Oxalic Acid SCHEMBL8916982 0.84 HTR2A (0.42) HTR2CHTR2AHTR7HTR6HSD11B1
Oxalic Acid SCHEMBL8916163 0.83 TP53 (0.45) HTR2CHTR2AHTR7HTR6KDM4E
SCHEMBL8916426 0.82 MAPT (0.40)
SCHEMBL8917865 0.80 MAPT (0.38) HTR2AHTR7
SCHEMBL8916920 0.80 CTSS (0.41) HTR2AHTR7
SCHEMBL8916709 0.80 CTSS (0.49)
SCHEMBL8919136 0.80 CTSS (0.40) HTR2AHTR7
SCHEMBL8918401 0.79 HTR1D (0.49) HTR2AHTR7CYP1A2
Hydrochloric Acid SCHEMBL8920486 0.79 CTSS (0.48)

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