SCHEMBL7700634

SCHEMBL7700634

COc1ccc(Sc2ccc(C(=O)N[C@@H]3C4CCN(CC4)[C@H]3C)cc2)s1.C[C@H]1[C@H](NC(=O)c2ccc(Sc3ccc(Cl)s3)cc2)C2CCN1CC2

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 11/20 0.38
CHRNB2 P17787 8/20 0.37
CHRNA4 P43681 8/20 0.37
GAA P10253 1/20 0.33
HTR3E A5X5Y0 1/20 0.32
HTR3B O95264 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
HTR3A P46098 1/20 0.32
HTR3D Q70Z44 1/20 0.32
HTR3C Q8WXA8 1/20 0.32
F2 P00734 1/20 0.31
F10 P00742 1/20 0.31

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
SCHEMBL6882959 0.94 CHRNA7 (0.41) CHRNA7CHRNB2CHRNA4
SCHEMBL6875498 0.93 CHRNA7 (0.42) CHRNA7CHRNB2CHRNA4GAAHTR3E
SCHEMBL6884781 0.82 CHRNA7 (0.43) CHRNA7CHRNB2CHRNA4
SCHEMBL7062907 0.81 CHRNA7 (0.39) CHRNA7CHRNB2CHRNA4HTR3EHTR3B
SCHEMBL6882136 0.80 CHRNA7 (0.42) CHRNA7CHRNB2CHRNA4
SCHEMBL6880052 0.80 CHRNA7 (0.41) CHRNA7CHRNB2CHRNA4GAAHTR3E
SCHEMBL6884326 0.79 CHRNA7 (0.43) CHRNA7CHRNB2CHRNA4
SCHEMBL6872580 0.79 CHRNA7 (0.43) CHRNA7CHRNB2CHRNA4
SCHEMBL6881872 0.79 CHRNA7 (0.41) CHRNA7CHRNB2CHRNA4
SCHEMBL7063496 0.79 CHRNA7 (0.40) CHRNA7CHRNB2CHRNA4GAAF2

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
US-6486172-B2 ADMINISTERING TO A MAMMAL A THERAPEUTICALLY EFFECTIVE AMOUNT OF BENZAMIDE OR BENZOCARBONYLSULFIDE SUBSTITUTED 1-AZABICYCLO(2,2,2)OCT-3-YL COMPOUNDS TO TREAT THE CONDITIONS ASSOCIATED WITH DEFECTS OF NICOTINIC SUBTYPES BRAIN RECEPTORS PHARMACIA & UPJOHN COMPANY 2002-11-26 US claimed