SCHEMBL4746221

SCHEMBL4746221

OC(Cc1ccccc1)(c1ccc(Cl)cc1)c1ccc(OCCCCCBr)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ EBP Q15125 1/20 0.54
▸ SIGMAR1 Q99720 1/20 0.54
▸ PPARG P37231 1/20 0.43
▸ PPARA Q07869 1/20 0.43
▸ DRD2 P14416 1/20 0.42
▸ DRD4 P21917 1/20 0.42
▸ DRD3 P35462 1/20 0.42
▸ LMNA P02545 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ TAAR1 Q96RJ0 1/20 0.41
▸ MRGPRX4 Q96LA9 1/20 0.40
▸ CYP19A1 P11511 1/20 0.39
▸ BCL2 P10415 1/20 0.39
▸ PLA2G4B P0C869 1/20 0.38
▸ HRH3 Q9Y5N1 6/20 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
SCHEMBL4746224 0.82 DRD2 (0.43) PPARGPPARADRD2DRD4DRD3
SCHEMBL4310502 0.81 EBP (0.81) EBPSIGMAR1DRD3LMNAHTT
SCHEMBL8770550 0.78 LMNA (0.47) EBPSIGMAR1LMNAHTTNPSR1
SCHEMBL7390013 0.78 HRH3 (0.53) DRD2DRD4DRD3HRH3
SCHEMBL6752147 0.78 HRH3 (0.53) DRD2DRD4DRD3HRH3
SCHEMBL10384122 0.78 HRH3 (0.53) DRD2DRD4DRD3HRH3
SCHEMBL7621718 0.78 HRH3 (0.53) DRD2DRD4DRD3HRH3
SCHEMBL1172364 0.76 DRD4 (0.53) DRD2DRD4DRD3HRH3
SCHEMBL4747589 0.73 HTT (0.53) EBPSIGMAR1LMNAHTTNPSR1
SCHEMBL17233002 0.73 HRH3 (0.49) DRD2DRD4DRD3SMN1; SMN2HRH3

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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