SCHEMBL7140214

SCHEMBL7140214

Cc1nc2n(c(=O)c1CCN1CCC(n3ccc4cc(F)ccc43)CC1)CCCC2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 17/20 0.61
DRD2 P14416 15/20 0.61
HTR1A P08908 8/20 0.61
KCNH2 Q12809 5/20 0.61
HTR7 P34969 4/20 0.61
HTR2C P28335 4/20 0.61
ADRA1A P35348 3/20 0.61
HRH1 P35367 3/20 0.61
ADRA2A P08913 2/20 0.61
ADRA2B P18089 2/20 0.61
ADRA2C P18825 2/20 0.61
DRD1 P21728 2/20 0.61
DRD4 P21917 2/20 0.61
DRD5 P21918 2/20 0.61
HTR1D P28221 2/20 0.61
HTR1B P28222 2/20 0.61
DRD3 P35462 2/20 0.61
SCN5A Q14524 2/20 0.61
CYP2D6 P10635 2/20 0.61
TSHR P16473 2/20 0.61

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
SCHEMBL7145886 0.81 HTR2A (0.47) HTR2ADRD2HTR1AKCNH2HTR7
SCHEMBL7142123 0.79 HTR2A (0.59) HTR2ADRD2HTR1AKCNH2HTR7
SCHEMBL7150372 0.79 HTR2A (0.47) HTR2ADRD2HTR1AKCNH2HTR7
SCHEMBL5263913 0.78 DRD2 (0.61) HTR2ADRD2HTR1AKCNH2HTR7
SCHEMBL8334007 0.78 HTR2A (0.61) HTR2ADRD2HTR1AKCNH2HTR7
SCHEMBL8229683 0.77 DRD2 (0.60) HTR2ADRD2HTR1AKCNH2HTR7
Hydrochloric Acid SCHEMBL6919132 0.77 DRD2 (0.60) HTR2ADRD2HTR1AKCNH2HTR7
SCHEMBL7347543 0.76 DRD2 (0.73) HTR2ADRD2HTR1AKCNH2HTR7
SCHEMBL5328181 0.76 DRD2 (0.75) HTR2ADRD2HTR1AKCNH2HTR7
SCHEMBL14198331 0.76 DRD2 (0.61) HTR2ADRD2HTR1AKCNH2HTR7

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
EP-0808313-B1 ANTIPSYCHOTIC 4-(1H-INDOLYL-1-YL)-1-SUBSTITUTED PIPERIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2003-08-13 EP claimed
EP-0808313-B1 ANTIPSYCHOTIC 4-(1H-INDOLYL-1-YL)-1-SUBSTITUTED PIPERIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2003-08-13 EP disclosed