SCHEMBL13806492

SCHEMBL13806492

C=C(Nc1cccnc1)N1CCC(CCCN2CCN(c3nccc4ccccc34)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 8/20 0.47
▸ DRD3 P35462 7/20 0.47
▸ HTR1A P08908 4/20 0.47
▸ HTR2A P28223 4/20 0.47
▸ HRH4 Q9H3N8 1/20 0.41
▸ DRD4 P21917 1/20 0.41
▸ HCAR2 Q8TDS4 1/20 0.39
▸ SORD Q00796 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
SCHEMBL12509153 0.90 DRD2 (0.51) DRD2DRD3HTR1AHTR2ADRD4
SCHEMBL12509046 0.85 DRD2 (0.55) DRD2DRD3HTR1AHTR2AHCAR2
SCHEMBL12509223 0.81 HCAR2 (0.50) DRD2DRD3HTR1AHTR2AHCAR2
SCHEMBL12509345 0.80 HCAR2 (0.52) DRD2DRD3HTR1AHTR2ADRD4
SCHEMBL12509220 0.79 TRPV1 (0.52) DRD2DRD3HTR1AHTR2A
SCHEMBL1532949 0.75 DRD2 (0.50) DRD2DRD3HTR1AHTR2AHRH4
SCHEMBL12736157 0.75 HTR2C (0.61) DRD2DRD3HTR1AHRH4DRD4
Hydrochloric Acid SCHEMBL1532724 0.74 HTR2C (0.60) DRD2DRD3HTR1AHRH4DRD4
SCHEMBL19753624 0.71 DRD2 (0.68) DRD2DRD3HTR1AHTR2ADRD4
SCHEMBL9224900 0.71 HRH4 (0.63) DRD2DRD3HTR1AHRH4DRD4

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
EP-2065369-A1 UREA COMPOUND OR SALT THEREOF Astellas Pharma Inc. (JP) 2009-06-03 — — EP disclosed
Send feedback