SCHEMBL13875754

SCHEMBL13875754

O=c1[nH]c2c(N3CCNCC3)nc(Cl)nc2n1-c1ccsc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.39
CHEK1 O14757 1/20 0.34
PRKCQ Q04759 1/20 0.34
SLC2A1 P11166 1/20 0.33
SLC2A3 P11169 1/20 0.33
DPP4 P27487 1/20 0.32
POLB P06746 1/20 0.32
SIRT5 Q9NXA8 1/20 0.32
ADRB1 P08588 3/20 0.32
HTR3E A5X5Y0 2/20 0.32
HTR3B O95264 2/20 0.32
HTR3A P46098 2/20 0.32
HTR3D Q70Z44 2/20 0.32
HTR3C Q8WXA8 2/20 0.32
SIGMAR1 Q99720 2/20 0.32
HTR6 P50406 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL13875865 0.85 SLC2A1 (0.45) HTR2CPRKCQSLC2A1SLC2A3DPP4
SCHEMBL13876126 0.81 CSNK2A1 (0.41) HTR2CPRKCQSLC2A1SLC2A3LMNA
SCHEMBL13876137 0.81 CYP1A2 (0.36) HTR2CPRKCQSLC2A1SLC2A3ADRB1
SCHEMBL13875868 0.81 CYP1A2 (0.48) SLC2A1SLC2A3ADRB1HTR3EHTR3B
SCHEMBL13875756 0.81 CHRNB2 (0.45) HTR2CCHEK1PRKCQSLC2A1SLC2A3
SCHEMBL13866874 0.74 DPP4 (0.42) HTR2CDPP4POLBSIRT5LMNA
SCHEMBL13866910 0.72 DPP4 (0.45) DPP4CHRM1
SCHEMBL13876117 0.70 ADORA1 (0.41) HTR2CDPP4SIRT5
SCHEMBL13876116 0.69 TLR7 (0.42) DPP4HTR6KMT2ACYP3A4
SCHEMBL13875683 0.69 SLC2A1 (0.53) SLC2A1SLC2A3ADRB1HTR3EHTR3B

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
US-7524847-B2 Fused 1,3-dihydro-imidazole ring compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-04-28 US disclosed