SCHEMBL12203835

SCHEMBL12203835

CCNCCCOc1ccc(-n2cc(-c3ccc(OCCc4ccc(Cl)cc4)cc3)nc2CC2CCNCC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AGER Q15109 7/20 0.53
HTR2A P28223 2/20 0.36
MCHR1 Q99705 2/20 0.36
CHRM1 P11229 1/20 0.36
KCNH2 Q12809 1/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
NPY1R P25929 3/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
ADORA1 P30542 1/20 0.34
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
KDM1A O60341 1/20 0.33
DRD2 P14416 2/20 0.33
DRD4 P21917 2/20 0.33
DRD3 P35462 2/20 0.33
HRH3 Q9Y5N1 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
SCHEMBL1615659 0.88 AGER (0.62) AGERHTR2AMCHR1CHRM1DRD2
SCHEMBL1283731 0.83 AGER (0.68) AGERDRD2DRD4DRD3
SCHEMBL1284058 0.80 AGER (0.70) AGERHRH3
SCHEMBL1283724 0.80 AGER (0.70) AGERHRH3
SCHEMBL1615682 0.78 AGER (0.62) AGERHTR2AMCHR1CHRM1DRD2
SCHEMBL12649489 0.77 AGER (0.78) AGER
SCHEMBL12203951 0.77 AGER (0.48) AGERHTR2AMCHR1CHRM1ESR1
SCHEMBL18649947 0.76 AGER (0.62) AGERDRD2DRD4DRD3HRH3
SCHEMBL1615200 0.75 AGER (0.57) AGERDRD2DRD3HRH3
SCHEMBL12203990 0.74 AGER (0.64) AGERHRH3

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
EP-1482931-B1 MONO- AND BICYCLIC AZOLE DERIVATIVES THAT INHIBIT THE INTERACTION OF LIGANDS WITH RAGE TRANSTECH PHARMA INC (US) 2011-10-19 EP disclosed