SCHEMBL13876137

SCHEMBL13876137

O=c1[nH]c2c(N3CCNCC3)nc(Cl)nc2n1-c1ccoc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.36
CYP3A4 P08684 3/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HTR2C P28335 4/20 0.34
CYP2D6 P10635 2/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
PRKCQ Q04759 2/20 0.33
SLC2A1 P11166 1/20 0.32
SLC2A3 P11169 1/20 0.32
HRH4 Q9H3N8 4/20 0.31
ADRB1 P08588 2/20 0.31
HTR6 P50406 2/20 0.31
HTR3E A5X5Y0 1/20 0.31
HTR3B O95264 1/20 0.31
TP53 P04637 1/20 0.31
HTR1A P08908 1/20 0.31

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 0.84 SLC2A1 (0.45) CYP1A2CYP3A4LMNAMAPTHTR2C
SCHEMBL13876154 0.82 SLC2A1 (0.48) CYP1A2CYP3A4LMNAMAPTHTR2C
SCHEMBL13875754 0.81 HTR2C (0.39) CYP1A2CYP3A4LMNAHTR2CCYP2D6
SCHEMBL13876126 0.80 CSNK2A1 (0.41) CYP1A2CYP3A4LMNAHTR2CUSP2
SCHEMBL13875756 0.80 CHRNB2 (0.45) CYP1A2CYP3A4HTR2CCYP2D6ALDH1A1
SCHEMBL13875868 0.80 CYP1A2 (0.48) CYP1A2CYP3A4LMNAMAPTUSP2
SCHEMBL13866874 0.74 DPP4 (0.42) CYP1A2CYP3A4LMNAHTR2CUSP2
SCHEMBL13866909 0.73 DPP4 (0.42) CHRM1
SCHEMBL12067367 0.70 CCNC (0.41) CYP1A2ALDH1A1HSD17B10CLK4CHRM2
SCHEMBL13876117 0.69 ADORA1 (0.41) HTR2CHSD17B10

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