SCHEMBL13876313

SCHEMBL13876313

CCn1c(=O)n(-c2ccnc(Cl)c2)c2ncnc(N3CCNCC3)c21

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.38
TLR7 Q9NYK1 1/20 0.37
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
PRKCA P17252 1/20 0.36
PRKCD Q05655 1/20 0.36
PRKD1 Q15139 1/20 0.36
METAP2 P50579 1/20 0.35
PRKCQ Q04759 1/20 0.35
HRH4 Q9H3N8 3/20 0.35
HTR6 P50406 2/20 0.34
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
HTR7 P34969 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
SCHEMBL13866972 0.88 DPP4 (0.40) HTR2CPRKCAPRKCDPRKD1
Trifluoroacetic Acid SCHEMBL3879283 0.82 DPP4 (0.38) HRH4
SCHEMBL13875892 0.73 HTR2C (0.44) HTR2CTLR7KDM4ENPC1MAPK1
SCHEMBL13875686 0.72 HTR2C (0.43) HTR2CTLR7
SCHEMBL13875889 0.72 HTR2C (0.43) HTR2CTLR7KDM4ENPC1
SCHEMBL13866963 0.71 DPP4 (0.48) KDM4ENPC1RAB9A
SCHEMBL13875776 0.71 HTR2C (0.42) HTR2CTLR7
SCHEMBL13866966 0.70 DPP4 (0.41) HTR2C
SCHEMBL13866961 0.70 DPP4 (0.41) KDM4E
SCHEMBL1432978 0.69 ADRB2 (0.56) HTR2CHRH4HTR6HTR1AHTR7

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