SCHEMBL22911990

SCHEMBL22911990

CN(C=O)c1ccc2c(N3CCCC3)nccc2c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.41
GRM4 Q14833 5/20 0.40
HTR2C P28335 1/20 0.38
CHRM4 P08173 1/20 0.38
DYRK1A Q13627 3/20 0.36
KDM4E B2RXH2 2/20 0.35
TSHR P16473 2/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
LMNA P02545 1/20 0.34
SORD Q00796 2/20 0.34
HTR6 P50406 1/20 0.34
HTR1A P08908 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33

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
SCHEMBL22911891 0.80 GRM4 (0.37) HRH4GRM4HTR2CCHRM4TSHR
SCHEMBL22911968 0.76 MEN1 (0.51) KDM4E
SCHEMBL22912012 0.74 GRM4 (0.52) HRH4GRM4HTR2C
SCHEMBL22911907 0.72 GRM4 (0.49) HRH4GRM4HTR2CCHRM4DYRK1A
SCHEMBL22911893 0.71 GRM4 (0.55) HRH4GRM4HTR2CCHRM4
SCHEMBL29003692 0.68 HRH4 (0.73) HRH4HTR2CKDM4ETSHRALDH1A1
SCHEMBL30275021 0.68 HRH4 (0.73) HRH4HTR2CKDM4ETSHRALDH1A1
SCHEMBL24704570 0.68 GRM4 (0.46) GRM4
SCHEMBL22911878 0.67 GRM4 (0.47) GRM4
SCHEMBL4766806 0.67 HRH4 (0.71) HRH4HTR2CKDM4ETSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021011796-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASES KINNATE BIOPHARMA INC. (US) 2021-01-21 WO disclosed