SCHEMBL7224412

SCHEMBL7224412

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(-c2cccc(C(F)(F)F)c2)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 5/20 0.44
HTR3E A5X5Y0 4/20 0.44
HTR3B O95264 4/20 0.44
HTR3A P46098 4/20 0.44
HTR3D Q70Z44 4/20 0.44
HTR3C Q8WXA8 4/20 0.44
IL2 P60568 2/20 0.43
MAPK11 Q15759 1/20 0.42
MAPK14 Q16539 1/20 0.42
MCHR1 Q99705 1/20 0.41
HDAC6 Q9UBN7 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC4 P56524 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39
ESRRG P62508 3/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
PTPN1 P18031 1/20 0.39

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
SCHEMBL7224429 0.91 MAPK11 (0.48) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7223338 0.87 CHRNA7 (0.57) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL375517 0.87 CHRNA7 (0.57) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7231675 0.87 HPGDS (0.49) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7233013 0.86 RXFP1 (0.47) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7232673 0.86 MAPK11 (0.49) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7224673 0.85 CHRNA7 (0.44) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7232581 0.84 CHRNB2 (0.45) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7232261 0.84 CHRNA7 (0.47) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7224885 0.83 HPGDS (0.52) 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