SCHEMBL8299042

SCHEMBL8299042

O=C(c1ccccc1)N1CCN(CCN2CCC(c3cn(-c4ccc(F)cc4)c4ccc(Cl)cc34)CC2)C1=O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.65
DRD2 P14416 2/20 0.65
HTR2C P28335 2/20 0.65
HRH1 P35367 2/20 0.65
HTR1A P08908 2/20 0.65
HTR1B P28222 2/20 0.65
MLNR O43193 1/20 0.65
CACNA1F O60840 1/20 0.65
NR1I2 O75469 1/20 0.65
ABCB11 O95342 1/20 0.65
ABCB1 P08183 1/20 0.65
ADRB1 P08588 1/20 0.65
ADRA2A P08913 1/20 0.65
ADORA3 P0DMS8 1/20 0.65
CHRM1 P11229 1/20 0.65
ADRA2B P18089 1/20 0.65
ADRA2C P18825 1/20 0.65
CHRM3 P20309 1/20 0.65
MAOA P21397 1/20 0.65
CNR1 P21554 1/20 0.65

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
SCHEMBL8297214 0.91 KCNH2 (0.62) KCNH2DRD2HTR2CHRH1HTR1A
SCHEMBL8295635 0.91 KCNH2 (0.64) KCNH2DRD2HTR2CHRH1HTR1A
SCHEMBL8293846 0.89 KCNH2 (0.69) KCNH2DRD2HTR2CHRH1HTR1A
SCHEMBL8301507 0.87 KCNH2 (0.63) KCNH2DRD2HTR2CHRH1HTR1A
SCHEMBL8301626 0.87 KCNH2 (0.59) KCNH2DRD2HTR2CHRH1HTR1A
SCHEMBL8296440 0.87 KCNH2 (0.66) KCNH2DRD2HTR2CHRH1HTR1A
SCHEMBL8301467 0.87 KCNH2 (0.66) KCNH2DRD2HTR2CHRH1HTR1A
SCHEMBL8295665 0.87 KCNH2 (0.66) KCNH2DRD2HTR2CHRH1HTR1A
SCHEMBL8295637 0.87 KCNH2 (0.66) KCNH2DRD2HTR2CHRH1HTR1A
SCHEMBL8295653 0.86 KCNH2 (0.75) KCNH2DRD2HTR2CHRH1HTR1A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0592433-B1 SERTINDOLE PRODRUGS LUNDBECK & CO AS H (DK) 1999-01-20 EP claimed
US-5428036-A Psychological disorders H. LUNDBECK A/S (DK) 1995-06-27 US claimed
EP-0592433-B1 SERTINDOLE PRODRUGS LUNDBECK & CO AS H (DK) 1999-01-20 EP disclosed
US-5428036-A Psychological disorders H. LUNDBECK A/S (DK) 1995-06-27 US disclosed