SCHEMBL9987567

SCHEMBL9987567

O=Cc1ccc(-c2ccc(N3CCN(CCC4CC4)CC3)nc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 11/20 0.45
DRD2 P14416 11/20 0.45
HTR2A P28223 3/20 0.43
DRD4 P21917 2/20 0.43
HTR1A P08908 1/20 0.43
SLC6A4 P31645 1/20 0.43
GPR119 Q8TDV5 1/20 0.39
HTR7 P34969 1/20 0.38

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
SCHEMBL1743100 0.88 RET (0.43) DRD3HTR2ADRD4HTR1ASLC6A4
SCHEMBL3242110 0.79 ALDH1A1 (0.55)
SCHEMBL1742828 0.79 ACVR1 (0.43) GPR119
SCHEMBL1743197 0.77 HRH3 (0.46) GPR119
SCHEMBL30230464 0.74 KCNJ1 (0.34) DRD3DRD2HTR2AGPR119HTR7
SCHEMBL9987565 0.74 TLR9 (0.38) GPR119
SCHEMBL1743145 0.74 TLR9 (0.46) GPR119
SCHEMBL1744111 0.73 HTR7 (0.46) GPR119HTR7
SCHEMBL10380301 0.73 DGAT1 (0.49)
SCHEMBL844318 0.71 KDM4E (0.56) DRD3DRD2HTR2ADRD4HTR1A

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