SCHEMBL4746224

SCHEMBL4746224

OCC(c1ccccc1)(c1ccc(Cl)cc1)c1ccc(OCCCCCBr)cc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 1/20 0.43
▸ DRD4 P21917 1/20 0.43
▸ DRD3 P35462 1/20 0.43
▸ KIF11 P52732 1/20 0.41
▸ HRH3 Q9Y5N1 11/20 0.39
▸ NAMPT P43490 1/20 0.39
▸ PPARG P37231 1/20 0.39
▸ PPARA Q07869 1/20 0.39
▸ KCNA3 P22001 1/20 0.39
▸ ESRRG P62508 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
SCHEMBL4746221 0.82 EBP (0.54) DRD2DRD4DRD3HRH3PPARG
SCHEMBL8707721 0.80 EBP (0.60) DRD3HRH3ESRRG
SCHEMBL7621718 0.80 HRH3 (0.53) DRD2DRD4DRD3HRH3
SCHEMBL6752147 0.80 HRH3 (0.53) DRD2DRD4DRD3HRH3
SCHEMBL10384122 0.80 HRH3 (0.53) DRD2DRD4DRD3HRH3
SCHEMBL7390013 0.80 HRH3 (0.53) DRD2DRD4DRD3HRH3
SCHEMBL1172364 0.78 DRD4 (0.53) DRD2DRD4DRD3HRH3
SCHEMBL4745368 0.76 SMN1; SMN2 (0.62) KCNA3
SCHEMBL17233002 0.75 HRH3 (0.49) DRD2DRD4DRD3HRH3
SCHEMBL4747583 0.75 LTA4H (0.50) DRD2DRD4DRD3HRH3

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-2008107320-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES USED AS ANTI-NEOPLASIC AGENTS OR CELL PROLIFERATION INHIBITORS CEREP (FR) 2008-09-12 — — WO disclosed
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