SCHEMBL4332001

SCHEMBL4332001

COc1cccc2oc3c(N4C[C@@H]5C[C@H]4CN5)ncnc3c12

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 12/20 0.53
CHRNB2 P17787 4/20 0.44
CHRNA4 P43681 4/20 0.44
LMNA P02545 2/20 0.44
TSHR P16473 2/20 0.44
HSD17B10 Q99714 2/20 0.44
MAPT P10636 1/20 0.44
KDM4E B2RXH2 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
GALR3 O60755 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL606255 0.84 HRH4 (0.73) HRH4CHRNB2CHRNA4
SCHEMBL606256 0.84 HRH4 (0.73) HRH4CHRNB2CHRNA4
Trifluoroacetic Acid SCHEMBL2498394 0.77 HRH4 (0.68) HRH4
Trifluoroacetic Acid SCHEMBL2498396 0.77 HRH4 (0.68) HRH4
SCHEMBL9215125 0.74 CHRNB2 (0.54) CHRNB2CHRNA4
SCHEMBL12193789 0.69 HRH4 (1.00) HRH4CHRNB2CHRNA4
SCHEMBL604188 0.69 HRH4 (1.00) HRH4CHRNB2CHRNA4
SCHEMBL604187 0.69 HRH4 (1.00) HRH4CHRNB2CHRNA4
SCHEMBL23932550 0.69 CHRNB2 (0.51) CHRNB2CHRNA4
SCHEMBL30040849 0.69 CHRNB2 (0.51) CHRNB2CHRNA4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2040549-A2 BENZOFURO-AND BENZOTHIENOPYRYIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-01 EP claimed
WO-2008008359-A2 BENZOFURO-AND BENZOTHIENOPYRYIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA, N.V. (BE) 2008-01-17 WO claimed