SCHEMBL4436591

SCHEMBL4436591

CN1CCC(CCC(C2CCN(C)CC2)n2ccc3cc(-c4nc5c(F)cc(F)cc5[nH]4)c(Cl)cc32)CC1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 6/20 0.40
SSTR5 P35346 12/20 0.38
TNKS O95271 2/20 0.34
PARP1 P09874 2/20 0.34
TNKS2 Q9H2K2 2/20 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
SCHEMBL605808 0.84 HRH4 (0.47) HRH4SSTR5TNKSPARP1TNKS2
SCHEMBL4300322 0.75 HRH4 (0.48) HRH4
SCHEMBL603553 0.74 SSTR5 (0.39) HRH4SSTR5TNKSTNKS2
SCHEMBL4440410 0.74 HRH4 (0.48) HRH4
SCHEMBL603380 0.73 HRH4 (0.57) HRH4
SCHEMBL4008717 0.70 HRH4 (0.51) HRH4
SCHEMBL604421 0.69 HRH4 (0.51) HRH4
SCHEMBL602726 0.69 HRH4 (0.47) HRH4SSTR5TNKSPARP1TNKS2
SCHEMBL604091 0.67 HRH4 (0.39) HRH4
SCHEMBL4433307 0.66 HRH4 (0.36) 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