SCHEMBL6081674

SCHEMBL6081674

O=c1n(-c2ccc(OCCNCC3CC3)cc2)ccn1-c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.45
ADRA1D P25100 5/20 0.45
ADRA1B P35368 4/20 0.45
ADRA1A P35348 3/20 0.45
DRD2 P14416 6/20 0.44
DRD4 P21917 6/20 0.44
DRD3 P35462 6/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HTR6 P50406 1/20 0.41
DPP4 P27487 1/20 0.41

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
SCHEMBL6082947 0.88 DRD4 (0.57) DRD2DRD4DRD3
SCHEMBL6081769 0.88 ALDH1A1 (0.46) HTR1AADRA1DADRA1BADRA1ADRD2
SCHEMBL1727502 0.85 MAOB (0.48)
SCHEMBL1728648 0.84 HTT (0.49) HTR1AADRA1DADRA1BADRA1AMEN1
SCHEMBL6081506 0.84 ALDH1A1 (0.46) MEN1KMT2A
SCHEMBL1728589 0.82 DRD2 (0.53) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL6080989 0.82 DRD2 (0.50) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL1729079 0.81 GAA (0.62) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL6081354 0.81 DRD2 (0.56) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL1729303 0.81 ALDH1A1 (0.51) MEN1KMT2A

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
US-7141561-B2 Substituted diaryl heterocycles, process for their preparation and their use as medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-11-28 US disclosed