SCHEMBL7225345

SCHEMBL7225345

COc1ccc(-c2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)s2)s1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 7/20 0.41
HTR3E A5X5Y0 5/20 0.38
HTR3B O95264 5/20 0.38
HTR3A P46098 5/20 0.38
HTR3D Q70Z44 5/20 0.38
HTR3C Q8WXA8 5/20 0.38
SLC6A4 P31645 4/20 0.36
SLC6A3 Q01959 4/20 0.36
SLC6A2 P23975 3/20 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
SCHEMBL7226147 0.93 SLC6A3 (0.39) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7226161 0.89 SLC6A3 (0.36) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7233475 0.86 SLC6A3 (0.35) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7224906 0.86 CHRNA7 (0.38) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7224299 0.85 NPC1 (0.45) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7224860 0.85 KDM4E (0.55) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7232602 0.84 CHRNA7 (0.38) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7232275 0.83 CHRNA7 (0.62) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7224322 0.83 CHRNA7 (0.40) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7225149 0.83 HTR4 (0.37) SLC6A4SLC6A3SLC6A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6562816-B2 Alpha 7 nicotine acetylcholine receptor agonist anti-psychotic agent, with reduced side effects PHARMACIA & UPJOHN COMPANY 2003-05-13 US claimed
US-6562816-B2 Alpha 7 nicotine acetylcholine receptor agonist anti-psychotic agent, with reduced side effects PHARMACIA & UPJOHN COMPANY 2003-05-13 US disclosed