SCHEMBL4233365

SCHEMBL4233365

CCOc1cc(CN2CCC(C3CC(N(N)c4ncc(-c5cccnc5)cn4)CCN3c3ncc(-c4cccnc4)cn3)CC2)ccc1C

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 12/20 0.39
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
KCNH2 Q12809 1/20 0.33
SSTR1 P30872 1/20 0.33
HRH1 P35367 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
SCHEMBL4231315 0.92 SSTR5 (0.43) SSTR5KDM4EALDH1A1HCRTR1HCRTR2
SCHEMBL4234813 0.92 SSTR5 (0.40) SSTR5DRD2DRD4DRD3HCRTR1
SCHEMBL4230353 0.91 SSTR5 (0.39) SSTR5DRD2DRD4DRD3HCRTR1
SCHEMBL4233683 0.91 SSTR5 (0.37) SSTR5DRD2DRD4DRD3HCRTR1
SCHEMBL4237977 0.91 SSTR5 (0.39) SSTR5DRD2DRD4DRD3KCNH2
SCHEMBL4232812 0.89 SSTR5 (0.38) SSTR5DRD2DRD4DRD3HCRTR1
SCHEMBL4225165 0.88 MKNK2 (0.35) SSTR5DRD2DRD4DRD3HCRTR1
SCHEMBL4235022 0.83 SSTR5 (0.37) SSTR5DRD2DRD4DRD3ALDH1A1
Hydrochloric Acid SCHEMBL4375373 0.81 SSTR5 (0.40) SSTR5KDM4EALDH1A1KCNH2HRH1
Hydrochloric Acid SCHEMBL4381557 0.79 SSTR5 (0.39) SSTR5DRD2DRD4DRD3KDM4E

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-2001867-B1 PYRIMIDINE, QUINAZOLINE, PTERIDINE AND TRIAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2009-07-01 EP disclosed