SCHEMBL4433307

SCHEMBL4433307

CN1CCC(CCCC(C2CCN(C)CC2)n2cc(Cl)c3c(-c4nc5cc(F)c(F)cc5[nH]4)cccc32)CC1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 10/20 0.36
ERN1 O75460 1/20 0.32
MCHR1 Q99705 7/20 0.32
JAK1 P23458 2/20 0.31
JAK2 O60674 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
SCHEMBL604739 0.84 HRH4 (0.41) HRH4ERN1MCHR1JAK1JAK2
SCHEMBL603849 0.76 F2 (0.36) HRH4
SCHEMBL601656 0.73 HRH4 (0.42) HRH4MCHR1
SCHEMBL602516 0.73 HRH4 (0.38) HRH4MCHR1
SCHEMBL604984 0.71 HRH4 (0.53) HRH4ERN1JAK1
SCHEMBL606695 0.70 HRH4 (0.56) HRH4
SCHEMBL4009401 0.70 BCHE (0.44)
SCHEMBL602819 0.69 CHEK2 (0.43)
SCHEMBL2166688 0.67 HRH4 (0.56) HRH4JAK1
SCHEMBL602542 0.67 HRH4 (0.49) HRH4

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