SCHEMBL9987565

SCHEMBL9987565

CC(C1CC1)N1CCN(c2ccc(-c3ccc(C=O)cc3)cn2)CC1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 3/20 0.38
TLR8 Q9NR97 3/20 0.38
TLR7 Q9NYK1 2/20 0.38
DGAT1 O75907 1/20 0.38
HRH3 Q9Y5N1 7/20 0.37
ERN1 O75460 2/20 0.37
GPR119 Q8TDV5 1/20 0.37
ACVR1 Q04771 1/20 0.36

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
SCHEMBL1743145 0.86 TLR9 (0.46) TLR9TLR8TLR7HRH3ERN1
SCHEMBL3242110 0.79 ALDH1A1 (0.55) DGAT1
SCHEMBL1742828 0.79 ACVR1 (0.43) DGAT1HRH3ERN1GPR119ACVR1
SCHEMBL1743197 0.77 HRH3 (0.46) DGAT1HRH3GPR119ACVR1
SCHEMBL1743100 0.76 RET (0.43) GPR119
SCHEMBL9987567 0.74 DRD3 (0.45) GPR119
SCHEMBL27921240 0.72 TLR9 (0.44) TLR9TLR8TLR7HRH3ACVR1
SCHEMBL10380301 0.70 DGAT1 (0.49) DGAT1HRH3ERN1
SCHEMBL22579216 0.70 RET (0.53) GPR119
SCHEMBL1743020 0.69 HDAC4 (0.40) TLR9TLR8TLR7HRH3ACVR1

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-2233470-B1 Histamine H3 receptor antagonists HIGH POINT PHARMACEUTICALS LLC (US) 2011-12-07 EP disclosed