SCHEMBL9752727

SCHEMBL9752727

COc1ccc(CCN2CCCCC2Cl)cc1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.66
TRPV6 Q9H1D0 1/20 0.55
SIGMAR1 Q99720 2/20 0.54
SMPD1 P17405 1/20 0.47
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46

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
SCHEMBL9752686 0.84 HRH3 (0.69) HRH3SIGMAR1SLC6A4
SCHEMBL8938239 0.83 HRH3 (0.66) HRH3TRPV6SIGMAR1SMPD1SLC6A2
SCHEMBL8879793 0.82 TRPV6 (0.47) HRH3TRPV6SIGMAR1SLC6A2SLC6A4
SCHEMBL6807049 0.81 HRH3 (0.63) HRH3TRPV6SIGMAR1
SCHEMBL6807045 0.81 HRH3 (0.63) HRH3TRPV6SIGMAR1
SCHEMBL9372352 0.81 HRH3 (0.63) HRH3TRPV6SIGMAR1
SCHEMBL6802109 0.78 HRH3 (0.68) HRH3SIGMAR1SLC6A2SLC6A4SLC6A3
SCHEMBL15173715 0.78 HRH3 (0.59) HRH3TRPV6SIGMAR1
SCHEMBL9376275 0.77 HRH3 (0.65) HRH3TRPV6SIGMAR1
SCHEMBL9376281 0.77 HRH3 (0.65) HRH3TRPV6SIGMAR1

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