SCHEMBL4564244

SCHEMBL4564244

Cc1cnc2n1CC(Cc1ccccc1)N(C(=O)CCCc1ccc(F)c(F)c1)[C@H]2N

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CHRM5 P08912 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ CHRM3 P20309 1/20 0.34
▸ DPP4 P27487 4/20 0.33
▸ DPP7 Q9UHL4 4/20 0.33
▸ KCNH2 Q12809 2/20 0.33
▸ PREP P48147 3/20 0.33
▸ FAAH O00519 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KMT2A Q03164 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
SCHEMBL1068219 0.69 DPP4 (0.51) DPP4DPP7
SCHEMBL1068220 0.69 DPP4 (0.51) DPP4DPP7
SCHEMBL4564247 0.63 AR (0.40) CHRM5CHRM1CHRM3MEN1NPC1
SCHEMBL5487719 0.62 DPP4 (0.53) DPP4DPP7
SCHEMBL4611151 0.62 NAAA (0.46) FAAHMEN1KMT2A
SCHEMBL2304021 0.62 NAAA (0.46) FAAHMEN1KMT2A
SCHEMBL3437063 0.61 NAAA (0.59) FAAH
SCHEMBL3437061 0.61 NAAA (0.59) FAAH
SCHEMBL6400131 0.61 CYP1A2 (0.41) —
SCHEMBL6954266 0.61 CYP1A2 (0.57) —

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-1808168-B1 Combination therapy for the treatment of diabetes and conditions related thereto and for the treatment of conditions ameliorated by increasing a blood GLP-1 level ARENA PHARM INC (US) 2009-06-03 — — EP disclosed
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