SCHEMBL7257699

SCHEMBL7257699

CCCc1cc(N2CCN(CCCOc3nccc(O)n3)CC2)nc(C(C)(C)C)n1

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 16/20 0.41
DRD3 P35462 16/20 0.41
HRH3 Q9Y5N1 3/20 0.40

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
SCHEMBL7252658 0.86 DRD2 (0.50) DRD2DRD3
SCHEMBL4392640 0.85 DRD2 (0.53) DRD2DRD3HRH3
SCHEMBL5899239 0.84 DRD2 (0.59) DRD2DRD3
SCHEMBL4392037 0.83 DRD2 (0.49) DRD2DRD3
SCHEMBL7255646 0.83 DRD2 (0.42) DRD2DRD3HRH3
SCHEMBL388042 0.81 DRD2 (0.45) DRD2DRD3
SCHEMBL2354731 0.79 DRD2 (0.60) DRD2DRD3
SCHEMBL1998919 0.75 DRD2 (0.73) DRD2DRD3
SCHEMBL4392571 0.75 DRD2 (0.54) DRD2DRD3
SCHEMBL1999004 0.74 DRD3 (0.72) DRD2DRD3

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
WO-2003002543-A1 PYRIMIDINOXYALKYLPIPERAZINES AND THEIR THERAPEUTIC USE ABBOTT LABORATORIES (US) 2003-01-09 WO disclosed