SCHEMBL7225752

SCHEMBL7225752

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(-c2ccccc2O)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 10/20 0.45
HTR3E A5X5Y0 5/20 0.41
HTR3B O95264 5/20 0.41
HTR3A P46098 5/20 0.41
HTR3D Q70Z44 5/20 0.41
HTR3C Q8WXA8 5/20 0.41
HSD17B2 P37059 4/20 0.40
HSD17B1 P14061 3/20 0.40
DYRK1A Q13627 2/20 0.39
DYRK1B Q9Y463 2/20 0.39
KCNH2 Q12809 1/20 0.38
SCN5A Q14524 1/20 0.38
ESRRG P62508 2/20 0.37
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL7225837 0.88 CHRNA7 (0.44) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7225664 0.88 HPGD (0.48) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7223518 0.88 CHRNA7 (0.60) CHRNA7HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL7226319 0.87 CHRNA7 (0.59) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7231719 0.86 CHRNA7 (0.42) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7226736 0.86 DYRK1A (0.44) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7223890 0.86 CHRNA7 (0.43) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7232588 0.86 HPGD (0.50) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7223981 0.85 CHRNA7 (0.42) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7232275 0.85 CHRNA7 (0.62) 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 1 patent. 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