SCHEMBL4233363

SCHEMBL4233363

CCOc1cc(CN2CCC(N(c3ncc(-c4cccnc4)cn3)N(c3ncc(-c4cccnc4)cn3)C3CCNCC3)CC2)ccc1C

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 15/20 0.44
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ABL1 P00519 1/20 0.37
KIT P10721 1/20 0.37
BCR P11274 1/20 0.37
LRRK2 Q5S007 1/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SSTR1 P30872 1/20 0.36
HRH1 P35367 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL4231311 0.91 SSTR5 (0.48) SSTR5KDM4EALDH1A1HRH1KCNH2
SCHEMBL4234809 0.91 SSTR5 (0.44) SSTR5DRD2DRD4DRD3SLC6A2
SCHEMBL4230352 0.89 SSTR5 (0.43) SSTR5DRD2DRD4DRD3SLC6A2
SCHEMBL4233681 0.89 SSTR5 (0.41) SSTR5DRD2DRD4DRD3SLC6A2
SCHEMBL4237973 0.89 SSTR5 (0.43) SSTR5DRD2DRD4DRD3SLC6A2
SCHEMBL4232809 0.87 SSTR5 (0.41) SSTR5DRD2DRD4DRD3SLC6A2
SCHEMBL4225162 0.86 CYP19A1 (0.39) SSTR5DRD2DRD4DRD3ALDH1A1
SCHEMBL4233361 0.82 SSTR5 (0.44) SSTR5DRD2DRD4DRD3KDM4E
SCHEMBL3782982 0.81 SSTR5 (0.56) SSTR5SSTR1HRH1
SCHEMBL4235018 0.80 SSTR5 (0.41) SSTR5DRD2DRD4DRD3ALDH1A1

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