SCHEMBL8808223

SCHEMBL8808223

c1ccc(CN(c2ccccn2)C2CCCCCC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.58
LMNA P02545 2/20 0.58
ALDH1A1 P00352 7/20 0.50
KDM4E B2RXH2 3/20 0.50
HPGD P15428 2/20 0.50
TRPM8 Q7Z2W7 4/20 0.46
CHRM2 P08172 1/20 0.46
ADRA2A P08913 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
DRD1 P21728 1/20 0.46
SLC6A2 P23975 1/20 0.46
HTR2A P28223 1/20 0.46
SLC6A4 P31645 1/20 0.46
ADRA1A P35348 1/20 0.46
HRH1 P35367 1/20 0.46
OPRK1 P41145 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KCNH2 Q12809 1/20 0.46
TSHR P16473 1/20 0.44

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
SCHEMBL22100705 0.79 CCR5 (0.52) SMN1; SMN2LMNAALDH1A1TRPM8MAPT
SCHEMBL4181822 0.78 SLC6A2 (0.42) SMN1; SMN2LMNAALDH1A1KDM4EHPGD
SCHEMBL9057107 0.78 G6PC1 (0.40) SMN1; SMN2LMNAALDH1A1KDM4EHPGD
SCHEMBL8629811 0.78 CCR5 (0.52) SMN1; SMN2LMNAALDH1A1TRPM8MAPT
SCHEMBL9057974 0.78 G6PC1 (0.42) SMN1; SMN2LMNAHPGDSLC6A2SLC6A4
SCHEMBL9057644 0.78 G6PC1 (0.42) SMN1; SMN2LMNAHPGDSLC6A2SLC6A4
SCHEMBL10891206 0.77 G6PC1 (0.50) SMN1; SMN2ALDH1A1KDM4EHPGDCHRM2
SCHEMBL4476467 0.77 G6PC1 (0.54) SMN1; SMN2ALDH1A1KDM4EHPGDSLC6A2
SCHEMBL433534 0.77 G6PC1 (0.38) SMN1; SMN2LMNAALDH1A1KDM4EHPGD
SCHEMBL9056621 0.74 TAAR1 (0.45) LMNAALDH1A1KDM4EHPGDSLC6A2

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-0784612-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-07-23 EP disclosed
WO-1996010559-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-11 WO disclosed