SCHEMBL9301809

SCHEMBL9301809

Cc1ncc(Cn2c(NC3CCN(CCc4ccccn4)CC3)nc3ccccc32)o1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 3/20 0.51
KCNH2 Q12809 15/20 0.51
HRH1 P35367 2/20 0.49
EED O75530 2/20 0.49
MEN1 O00255 1/20 0.49
MLNR O43193 1/20 0.49
CACNA1F O60840 1/20 0.49
USP2 O75604 1/20 0.49
ABCB11 O95342 1/20 0.49
EGFR P00533 1/20 0.49
LMNA P02545 1/20 0.49
HLA-A P04439 1/20 0.49
ERBB2 P04626 1/20 0.49
TP53 P04637 1/20 0.49
CYP1A2 P05177 1/20 0.49
LCK P06239 1/20 0.49
FYN P06241 1/20 0.49
CHRM2 P08172 1/20 0.49
CHRM4 P08173 1/20 0.49
ABCB1 P08183 1/20 0.49

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
SCHEMBL14173615 0.87 SSTR5 (0.51) SSTR5KCNH2HRH1EEDMEN1
SCHEMBL9304456 0.87 KCNH2 (0.51) SSTR5KCNH2HRH1EEDMEN1
Water SCHEMBL4983352 0.86 KCNH2 (0.51) SSTR5KCNH2HRH1EEDMEN1
SCHEMBL8162459 0.86 SSTR5 (0.48) SSTR5KCNH2HRH1EEDMEN1
Hydrochloric Acid SCHEMBL4987342 0.85 KCNH2 (0.51) SSTR5KCNH2HRH1EEDMEN1
Water SCHEMBL8561218 0.85 KCNH2 (0.68) SSTR5KCNH2HRH1EEDMEN1
Water SCHEMBL9304789 0.85 KCNH2 (0.68) SSTR5KCNH2HRH1EEDMEN1
SCHEMBL9537073 0.85 SSTR5 (0.51) SSTR5KCNH2HRH1EEDMEN1
Water SCHEMBL9303347 0.85 KCNH2 (0.48) SSTR5KCNH2HRH1EEDMEN1
Water SCHEMBL9303352 0.85 KCNH2 (0.48) SSTR5KCNH2HRH1EEDMEN1

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
US-5278165-A Oxazolyl imidazol[4,5-b]pyridin and pyrimidine compounds JANSSEN PHARMACEUTICA N.V. (BE) 1994-01-11 US disclosed
WO-1992001687-A1 NOVEL OXAZOLYL DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1992-02-06 WO disclosed