SCHEMBL6027554

SCHEMBL6027554

Cc1cccc2[nH]c(-c3ccc(OCCCN4CCN(C)CC4)c4ccccc34)nc12

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 8/20 0.56
NOS3 P29474 1/20 0.51
NOS1 P29475 1/20 0.51
NOS2 P35228 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
DRD3 P35462 1/20 0.48
GNRHR P30968 1/20 0.45
HTR1A P08908 1/20 0.43
DRD2 P14416 1/20 0.43
HTR2A P28223 1/20 0.43
SLC6A4 P31645 1/20 0.43
MGAM O43451 3/20 0.43
GAA P10253 3/20 0.43
SI P14410 3/20 0.43
MGAM2 Q2M2H8 3/20 0.43

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
SCHEMBL604385 0.82 HRH4 (0.53) HRH4NOS3NOS1NOS2MEN1
SCHEMBL602095 0.81 HRH4 (0.57) HRH4DRD3GNRHRMGAMGAA
SCHEMBL602184 0.81 HRH4 (0.80) HRH4DRD3DRD2MGAMGAA
SCHEMBL603789 0.79 DRD3 (0.54) HRH4DRD3GNRHRMGAMGAA
SCHEMBL602177 0.78 HRH4 (0.81) HRH4DRD3DRD2MGAMGAA
SCHEMBL604837 0.78 HRH4 (0.66) HRH4DRD3DRD2MGAMGAA
SCHEMBL604153 0.74 HRH4 (0.75) HRH4DRD3DRD2
SCHEMBL602737 0.74 HRH4 (0.48) HRH4DRD3MGAMGAASI
SCHEMBL602634 0.72 HRH4 (0.69) HRH4DRD3DRD2
SCHEMBL605157 0.72 HRH4 (1.00) HRH4DRD3DRD2

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-1673348-A2 BENZOIMIDAZOLE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-28 EP disclosed
WO-2005044807-A2 BENZOIMIDAZOLE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2005-05-19 WO disclosed