SCHEMBL7225477

SCHEMBL7225477

Cc1cnc(-c2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)s2)o1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 8/20 0.36
HTR3E A5X5Y0 5/20 0.34
HTR3B O95264 5/20 0.34
HTR3A P46098 5/20 0.34
HTR3D Q70Z44 5/20 0.34
HTR3C Q8WXA8 5/20 0.34
AKT1 P31749 7/20 0.34
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33
MAPK14 Q16539 1/20 0.33

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
SCHEMBL7233242 0.88 AKT1 (0.36) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7232339 0.87 CHRNA7 (0.36) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7233692 0.85 TXK (0.36) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7233633 0.84 ITK (0.39) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7224299 0.83 NPC1 (0.45) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7224289 0.82 CHRNA7 (0.36) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7232814 0.82 CHRNA7 (0.37) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7226198 0.82 CHRNA7 (0.34) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7227405 0.82 MAPK13 (0.50) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7232306 0.82 CHRNA7 (0.39) CHRNA7HTR3EHTR3BHTR3AHTR3D

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