SCHEMBL9752686

SCHEMBL9752686

COc1cccc(CCN2CCCCC2Cl)c1

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.69
SIGMAR1 Q99720 3/20 0.58
HTR1A P08908 2/20 0.50
SLC6A4 P31645 2/20 0.50
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49

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
SCHEMBL8938433 0.85 HRH3 (0.69) HRH3SIGMAR1HTR1ASLC6A4ALDH1A1
SCHEMBL9752727 0.84 HRH3 (0.66) HRH3SIGMAR1SLC6A4
SCHEMBL6802079 0.82 HRH3 (0.66) HRH3SIGMAR1
SCHEMBL6802071 0.82 HRH3 (0.66) HRH3SIGMAR1
SCHEMBL6801436 0.80 HRH3 (0.71) HRH3SIGMAR1HTR1ASLC6A4
SCHEMBL5193849 0.78 HRH3 (0.60) HRH3SIGMAR1
SCHEMBL26024360 0.78 HRH3 (0.60) HRH3SIGMAR1
SCHEMBL10669091 0.78 HRH3 (1.00) HRH3SIGMAR1HTR1ASLC6A4
SCHEMBL8938428 0.77 HRH3 (0.58) HRH3SIGMAR1HTR1ASLC6A4
SCHEMBL17294993 0.76 HRH3 (0.97) HRH3SIGMAR1HTR1ASLC6A4

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-1991010648-A1 DIPHENYLSULPHOXIMINE MUSCARINIC RECEPTOR ANTAGONISTS PFIZER LIMITED (GB) 1991-07-25 WO disclosed