SCHEMBL27769643

SCHEMBL27769643

CCOc1cc(CN2CCC(Nc3cc(OC(C)=O)nc(Cl)n3)CC2)c(Cl)c(OCC)c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 14/20 0.42
SSTR1 P30872 2/20 0.42
NOS1 P29475 2/20 0.38
NOS2 P35228 2/20 0.38
MCHR1 Q99705 1/20 0.37
HRH1 P35367 2/20 0.36
HTR2B P41595 1/20 0.36
MAPT P10636 1/20 0.36
OPRK1 P41145 1/20 0.35
KCNH2 Q12809 1/20 0.35
CCR1 P32246 1/20 0.35
CCR3 P51677 1/20 0.35

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
SCHEMBL27769518 0.87 MCHR1 (0.46) SSTR5SSTR1NOS1NOS2MCHR1
SCHEMBL1748311 0.86 SSTR5 (0.42) SSTR5SSTR1NOS1NOS2MCHR1
SCHEMBL27769644 0.85 SSTR5 (0.43) SSTR5SSTR1NOS1NOS2MCHR1
SCHEMBL27769504 0.82 SSTR5 (0.53) SSTR5SSTR1HRH1HTR2BKCNH2
SCHEMBL27748482 0.82 SSTR5 (0.47) SSTR5SSTR1HRH1HTR2BKCNH2
SCHEMBL1748532 0.82 HRH3 (0.44) SSTR5SSTR1NOS1NOS2HRH1
SCHEMBL27748276 0.78 HRH3 (0.40) SSTR5SSTR1NOS1NOS2HRH1
SCHEMBL3770676 0.77 SSTR5 (0.44) SSTR5SSTR1HRH1HTR2BMAPT
SCHEMBL28776964 0.76 SSTR5 (0.49) SSTR5SSTR1MCHR1
SCHEMBL1748551 0.75 SSTR5 (0.44) SSTR5SSTR1MCHR1HRH1HTR2B

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
CN-101479257-A Pyrimidine and quinazoline derivatives HOFFMANN LA ROCHE (CH) 2009-07-08 CN disclosed