SCHEMBL7251876

SCHEMBL7251876

CC(C)(C)c1nc(N2CCN(CCCOc3nccc(OCc4ccccc4)n3)CC2)cc(C(F)(F)F)n1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 20/20 0.56
DRD2 P14416 19/20 0.56

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
SCHEMBL7252084 0.97 DRD3 (0.57) DRD3DRD2
SCHEMBL6600963 0.97 DRD2 (0.53) DRD3DRD2
SCHEMBL7255815 0.94 DRD2 (0.49) DRD3DRD2
SCHEMBL7252879 0.88 DRD2 (0.58) DRD3DRD2
SCHEMBL4393692 0.86 DRD2 (0.52) DRD3DRD2
SCHEMBL7255646 0.86 DRD2 (0.42) DRD3DRD2
SCHEMBL4394940 0.84 DRD2 (0.49) DRD3DRD2
SCHEMBL5899239 0.83 DRD2 (0.59) DRD3DRD2
Oxalic Acid SCHEMBL6601384 0.82 DRD2 (0.60) DRD3DRD2
SCHEMBL7456588 0.77 DRD3 (0.60) DRD3DRD2

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