SCHEMBL7224906

SCHEMBL7224906

COc1cnc(-c2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)s2)s1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 8/20 0.38
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HTR3E A5X5Y0 4/20 0.34
HTR3B O95264 4/20 0.34
HTR3A P46098 4/20 0.34
HTR3D Q70Z44 4/20 0.34
HTR3C Q8WXA8 4/20 0.34
AKT1 P31749 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 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
SCHEMBL7230458 0.87 NPC1 (0.38) CHRNA7KDM4ENPC1TP53MAPT
SCHEMBL7225345 0.86 CHRNA7 (0.41) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7223422 0.85 HPGD (0.38) CHRNA7KDM4ENPC1TP53MAPT
SCHEMBL7231157 0.83 SLC8A1 (0.33) SLC6A2SLC6A4SLC6A3
SCHEMBL7232602 0.83 CHRNA7 (0.38) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7233001 0.83 CHRNA7 (0.38) CHRNA7KDM4ENPC1TP53MAPT
SCHEMBL7226147 0.83 SLC6A3 (0.39) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7224866 0.82 CTSC (0.40) CHRNA7KDM4ENPC1MAPTHPGD
SCHEMBL7225220 0.82 CHRNA7 (0.39) CHRNA7KDM4ENPC1MAPTHPGD
SCHEMBL7234233 0.82 SLC6A3 (0.32) SLC6A2SLC6A4SLC6A3

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