SCHEMBL21074571

SCHEMBL21074571

Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2OCCCCCC(=O)N1CCN(C)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 14/20 0.67
HTR2A P28223 14/20 0.67
KCNH2 Q12809 8/20 0.67
HTR2C P28335 6/20 0.67
ADRA1A P35348 6/20 0.67
HRH1 P35367 6/20 0.67
DRD3 P35462 4/20 0.67
ADRA2A P08913 3/20 0.67
ADRA2B P18089 2/20 0.67
ADRA2C P18825 2/20 0.67
DRD1 P21728 2/20 0.67
DRD4 P21917 2/20 0.67
DRD5 P21918 2/20 0.67
HTR1D P28221 2/20 0.67
HTR1B P28222 2/20 0.67
HTR7 P34969 2/20 0.67
SCN5A Q14524 2/20 0.67
KCND3 Q9UK17 1/20 0.67
HTR1A P08908 6/20 0.59
HTR6 P50406 4/20 0.59

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
SCHEMBL15486134 0.95 DRD2 (0.65) DRD2HTR2AKCNH2HTR2CADRA1A
SCHEMBL15493491 0.95 DRD2 (0.65) DRD2HTR2AKCNH2HTR2CADRA1A
SCHEMBL21074581 0.94 DRD2 (0.64) DRD2HTR2AKCNH2HTR2CADRA1A
SCHEMBL15486018 0.94 HTR2A (0.65) DRD2HTR2AKCNH2HTR2CADRA1A
SCHEMBL15489475 0.94 HTR2A (0.63) DRD2HTR2AKCNH2HTR2CADRA1A
SCHEMBL21507375 0.93 DRD2 (0.62) DRD2HTR2AKCNH2HTR2CADRA1A
SCHEMBL15485675 0.93 DRD2 (0.62) DRD2HTR2AKCNH2HTR2CADRA1A
SCHEMBL15485630 0.92 DRD2 (0.71) DRD2HTR2AKCNH2HTR2CADRA1A
SCHEMBL15493490 0.92 DRD2 (0.71) DRD2HTR2AKCNH2HTR2CADRA1A
SCHEMBL15489439 0.92 DRD2 (0.71) DRD2HTR2AKCNH2HTR2CADRA1A

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-3556759-A1 HAPTENS OF PALIPERIDONE Janssen Pharmaceutica NV (BE) 2019-10-23 EP disclosed
EP-2888258-B1 HAPTENS OF PALIPERIDONE JANSSEN PHARMACEUTICA NV (BE) 2019-06-05 EP disclosed