SCHEMBL7224221

SCHEMBL7224221

COc1ncc(-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
PIK3CG P48736 1/20 0.35
AKT1 P31749 4/20 0.34
FAAH O00519 1/20 0.34
HTR3E A5X5Y0 4/20 0.33
HTR3B O95264 4/20 0.33
HTR3A P46098 4/20 0.33
HTR3D Q70Z44 4/20 0.33
HTR3C Q8WXA8 4/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL7233633 0.87 ITK (0.39) CHRNA7AKT1HTR3EHTR3BHTR3A
SCHEMBL7225620 0.85 AKT1 (0.37) CHRNA7AKT1HTR3EHTR3BHTR3A
SCHEMBL7224622 0.84 CHRNA7 (0.37) CHRNA7AKT1HTR3EHTR3BHTR3A
SCHEMBL7232161 0.83 CHRNA7 (0.38) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7226769 0.83 SLC6A3 (0.31)
SCHEMBL7232339 0.83 CHRNA7 (0.36) CHRNA7AKT1HTR3EHTR3BHTR3A
SCHEMBL7225220 0.83 CHRNA7 (0.39) CHRNA7KDM4ENPC1MAPTHPGD
SCHEMBL7225334 0.83 SLC6A3 (0.32)
SCHEMBL7232602 0.82 CHRNA7 (0.38) CHRNA7AKT1HTR3EHTR3BHTR3A
SCHEMBL7224906 0.81 CHRNA7 (0.38) CHRNA7AKT1HTR3EHTR3BHTR3A

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