SCHEMBL13808481

SCHEMBL13808481

Cc1[nH]c(-c2ccc3c(ccn3CCCN3CCN(C)CC3)c2)nc1-c1ccc(I)cc1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 8/20 0.41
TERT O14746 3/20 0.39
NPY5R Q15761 1/20 0.38
HRH4 Q9H3N8 2/20 0.36
P2RX7 Q99572 1/20 0.35
DRD3 P35462 1/20 0.35
BPTF Q12830 1/20 0.34

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
SCHEMBL603497 0.90 HRH4 (0.43) HTR7TERTNPY5RHRH4
SCHEMBL604898 0.83 KCNH2 (0.43) HTR7TERTNPY5RHRH4P2RX7
SCHEMBL605431 0.76 HRH4 (0.55) TERTHRH4
SCHEMBL603959 0.75 HRH4 (0.54) HTR7TERTHRH4DRD3
SCHEMBL4006179 0.71 PIN1 (0.40)
SCHEMBL605879 0.69 HRH4 (0.45) TERTHRH4P2RX7
SCHEMBL604889 0.67 HRH4 (0.46) HRH4
SCHEMBL602990 0.65 HRH4 (0.45) TERTHRH4DRD3
SCHEMBL603755 0.65 HRH4 (0.43) TERTHRH4DRD3
SCHEMBL1625491 0.65 HRH4 (0.62) HRH4DRD3

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
WO-2009079001-A1 BICYCLIC HETEROARYL-SUBSTITUTED IMIDAZOLES AS MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2009-06-25 WO disclosed