SCHEMBL5227978

SCHEMBL5227978

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc2sccc2c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 5/20 0.50
HTR3A P46098 4/20 0.50
HTR3E A5X5Y0 1/20 0.47
HTR3B O95264 1/20 0.47
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47
HTR3D Q70Z44 1/20 0.47
HTR3C Q8WXA8 1/20 0.47
NAMPT P43490 1/20 0.42
CTNNB1 P35222 2/20 0.40
WNT3A P56704 2/20 0.40
OPRD1 P41143 2/20 0.37
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
BRAF P15056 1/20 0.36
WNT1 P04628 1/20 0.36
DYRK1A Q13627 1/20 0.36

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
SCHEMBL5228643 0.82 CHRNA7 (0.52) CHRNA7HTR3AHTR3EHTR3BCHRNB4
SCHEMBL6100330 0.81 SSTR3 (0.47)
Hydrochloric Acid SCHEMBL7126791 0.81 SSTR3 (0.46)
SCHEMBL6479894 0.80 CHRNA7 (0.47) CHRNA7HTR3AHTR3EHTR3BCHRNB4
SCHEMBL6478750 0.80 CHRNA7 (0.49) CHRNA7HTR3AHTR3EHTR3BCHRNB4
SCHEMBL5226666 0.80 CHRNA7 (0.55) CHRNA7HTR3AHTR3EHTR3BCHRNB4
SCHEMBL7121745 0.80 CHRNB2 (0.40) CHRNA7
SCHEMBL6098344 0.80 CHRNB4 (0.39) CHRNA7HTR3AHTR3EHTR3BCHRNB4
SCHEMBL14608938 0.79 HDAC6 (0.44) CHRNB4CHRNA3GAA
SCHEMBL7121130 0.79 SLC6A3 (0.40) CHRNA7

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
EP-1425286-B1 SUBSTITUTED 7-AZA-[2.2.1]BICYCLOHEPTANES FOR THE TREATMENT OF DISEASES PHARMACIA & UPJOHN CO LLC (US) 2007-02-28 EP claimed