SCHEMBL4564247

SCHEMBL4564247

CC1=C(N)N(Cc2ccccc2)C2CN(C(=O)CCCc3ccc(F)c(F)c3)CCN12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 1/20 0.40
▸ SIGMAR1 Q99720 4/20 0.39
▸ CHRM5 P08912 1/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ CHRM3 P20309 1/20 0.39
▸ CACNA1F O60840 1/20 0.38
▸ DRD1 P21728 1/20 0.38
▸ DRD4 P21917 1/20 0.38
▸ DRD5 P21918 1/20 0.38
▸ HRH2 P25021 1/20 0.38
▸ ADRA1D P25100 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ HTR7 P34969 1/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ HRH1 P35367 1/20 0.38
▸ ADRA1B P35368 1/20 0.38
▸ OPRM1 P35372 1/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ OPRD1 P41143 1/20 0.38

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
SCHEMBL13593620 0.65 P2RX7 (0.47) ARSIGMAR1CACNA1FDRD1DRD4
SCHEMBL3796885 0.64 GFER (0.67) HTR7ALDH1A1MEN1KMT2ANPC1
SCHEMBL4564244 0.63 CHRM5 (0.34) CHRM5CHRM1CHRM3MEN1KMT2A
SCHEMBL13182943 0.62 ALDH1A1 (0.48) ARSIGMAR1CHRM5CHRM3CACNA1F
SCHEMBL6954266 0.62 CYP1A2 (0.57) ADRA1ASLC6A3ALDH1A1
SCHEMBL6400131 0.62 CYP1A2 (0.41) —
SCHEMBL13593621 0.61 DPP4 (0.66) PTGDR2
SCHEMBL12835353 0.61 DPP4 (0.46) PTGDR2
SCHEMBL7730871 0.61 NPC1 (0.68) ARSIGMAR1CACNA1FDRD1DRD4
SCHEMBL24533902 0.61 POLB (0.56) ARSIGMAR1CHRM1CACNA1FDRD1

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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