SCHEMBL7226147

SCHEMBL7226147

COc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3)s1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 7/20 0.39
SLC6A4 P31645 5/20 0.39
SLC6A2 P23975 3/20 0.39
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
HTR3A P46098 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 1/20 0.37

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
SCHEMBL7226161 0.95 SLC6A3 (0.36) SLC6A3SLC6A4SLC6A2HTR3EHTR3B
SCHEMBL7225345 0.93 CHRNA7 (0.41) SLC6A3SLC6A4SLC6A2HTR3EHTR3B
SCHEMBL7233475 0.90 SLC6A3 (0.35) SLC6A3SLC6A4SLC6A2HTR3EHTR3B
SCHEMBL7225149 0.89 HTR4 (0.37) SLC6A3SLC6A4SLC6A2
SCHEMBL7223853 0.87 CHRNA7 (0.43) SLC6A3HTR3EHTR3BHTR3AHTR3D
SCHEMBL7231157 0.87 SLC8A1 (0.33) SLC6A3SLC6A4SLC6A2
SCHEMBL7232316 0.86 NPC1 (0.43) SLC6A3SLC6A4SLC6A2
SCHEMBL7225471 0.86 SLC6A3 (0.33) SLC6A3SLC6A4SLC6A2
SCHEMBL7233882 0.86 SLC6A3 (0.33) SLC6A3SLC6A4SLC6A2
SCHEMBL7226014 0.85 SLC6A2 (0.41) SLC6A3SLC6A4SLC6A2

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