SCHEMBL5821072

SCHEMBL5821072

Clc1cccc(-c2cccc3c2OC(CN2CCNCC2)C3)c1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.48
PTPN11 Q06124 3/20 0.43
HTR2A P28223 4/20 0.41
HTR2C P28335 4/20 0.41
ADRB1 P08588 2/20 0.41
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
HRH4 Q9H3N8 1/20 0.36
SCN9A Q15858 1/20 0.36
HTR2B P41595 1/20 0.36
AQP1 P29972 1/20 0.35
CNR2 P34972 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
HTR1A P08908 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
HTR3A P46098 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
ABCB1 P08183 1/20 0.34

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
SCHEMBL5792689 0.92 HRH3 (0.52) HRH3HTR2AHTR2CADRB1DRD2
SCHEMBL5792693 0.92 HRH3 (0.52) HRH3HTR2AHTR2CADRB1DRD2
SCHEMBL5792518 0.85 HRH3 (0.48) HRH3HTR2AHTR2CHRH4HTR2B
SCHEMBL5792463 0.83 HRH3 (0.53) HRH3HTR2AHTR2CADRB1HTR2B
SCHEMBL5795029 0.82 HRH3 (0.52) HRH3HTR2AHTR2CHTR2BHTR1A
SCHEMBL5795007 0.82 HRH3 (0.55) HRH3HTR2AHTR2CADRB1HRH4
SCHEMBL4607050 0.77 PRKAB2 (0.53) PTPN11HTR2AHTR2CHTR2BAQP1
SCHEMBL5791140 0.77 HRH3 (0.55) HRH3HTR2AHTR2CHTR2BHTR1A
SCHEMBL5807660 0.77 HRH3 (0.55) HRH3HTR2AHTR2CADRB1HRH4
SCHEMBL5791988 0.76 HRH3 (0.53) HRH3DRD2DRD3CYP1A2CYP3A4

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-2006000902-A1 DIHYDROBENZOFURAN COMPOUNDS AND USES THEREOF PFIZER PRODUCTS INC. (US) 2006-01-05 WO disclosed