SCHEMBL7399679

SCHEMBL7399679

O=C(NC1CN2CCC1CC2)c1cc(Cl)cc2c1O[C@@H]1CCCC[C@H]21

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 4/20 0.59
KCNH2 Q12809 2/20 0.55
HTR2A P28223 1/20 0.55
SLC6A4 P31645 1/20 0.55
HRH1 P35367 1/20 0.55
PDE4D Q08499 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
CYP1A2 P05177 1/20 0.55

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
SCHEMBL7397225 1.00 HTR3A (0.59) HTR3AKCNH2HTR2ASLC6A4HRH1
SCHEMBL7397597 1.00 HTR3A (0.59) HTR3AKCNH2HTR2ASLC6A4HRH1
SCHEMBL30036930 1.00 HTR3A (0.59) HTR3AKCNH2HTR2ASLC6A4HRH1
SCHEMBL7399135 1.00 HTR3A (0.59) HTR3AKCNH2HTR2ASLC6A4HRH1
SCHEMBL7395029 1.00 HTR3A (0.59) HTR3AKCNH2HTR2ASLC6A4HRH1
SCHEMBL7395820 1.00 HTR3A (0.59) HTR3AKCNH2HTR2ASLC6A4HRH1
SCHEMBL7396726 1.00 HTR3A (0.59) HTR3AKCNH2HTR2ASLC6A4HRH1
SCHEMBL9492632 0.84 HTR3A (0.51) HTR3AKCNH2
SCHEMBL9511589 0.81 HTR3A (0.58) HTR3AKCNH2HTR2ASLC6A4HRH1
SCHEMBL9509199 0.81 HTR3A (0.58) HTR3AKCNH2HTR2ASLC6A4HRH1

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-5246942-A Central nervous system, anti-emetic and gastric prokinetic activity RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1993-09-21 US disclosed
WO-1991004738-A1 DIBENZOFURANCARBOXAMIDES RORER INTERNATIONAL (HOLDINGS), INC. (US) 1991-04-18 WO disclosed
WO-1989010364-A1 DIBENZOFURANCARBOXAMIDES RORER INTERNATIONAL (OVERSEAS) INC. (US) 1989-11-02 WO disclosed