SCHEMBL7230705

SCHEMBL7230705

Cc1sc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3)cc1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 2/20 0.39
HTR3B O95264 2/20 0.39
HTR3A P46098 2/20 0.39
HTR3D Q70Z44 2/20 0.39
HTR3C Q8WXA8 2/20 0.39
PLK1 P53350 2/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
KDR P35968 1/20 0.38
CCNA1 P78396 1/20 0.38
DCLK1 O15075 1/20 0.38
PDPK1 O15530 1/20 0.38
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38
CHEK2 O96017 1/20 0.38
PIM1 P11309 1/20 0.38
MAPK1 P28482 1/20 0.38
AXL P30530 1/20 0.38
FLT4 P35916 1/20 0.38
FLT3 P36888 1/20 0.38

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
SCHEMBL7235019 0.87 CCNA2 (0.38) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7226779 0.86 HTR3E (0.41) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7226905 0.85 HPGD (0.54) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7223931 0.84 CTSC (0.39) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7225294 0.81 SLC6A3 (0.39) HTR3ACHRNB2CHRNA4CHRNA7
SCHEMBL7225954 0.80 CCNA2 (0.38) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7231989 0.80 CHRNA7 (0.39) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL375517 0.80 CHRNA7 (0.57) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7223338 0.80 CHRNA7 (0.57) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7225843 0.79 USP30 (0.49) HTR3EHTR3BHTR3AHTR3DHTR3C

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