SCHEMBL7224322

SCHEMBL7224322

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(-c2ccc(Cl)s2)s1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 5/20 0.40
HTR3E A5X5Y0 4/20 0.39
HTR3B O95264 4/20 0.39
HTR3A P46098 4/20 0.39
HTR3D Q70Z44 4/20 0.39
HTR3C Q8WXA8 4/20 0.39
F10 P00742 11/20 0.39
F2 P00734 3/20 0.39
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ESR1 P03372 1/20 0.37
ESRRG P62508 1/20 0.37
ESR2 Q92731 1/20 0.37
PTPN1 P18031 1/20 0.37
PTPN11 Q06124 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
SCHEMBL7224677 0.93 MEN1 (0.43) F10F2MEN1GAAHTT
Hydrochloric Acid SCHEMBL7233032 0.91 F10 (0.43) F10F2MEN1GAAHTT
SCHEMBL7231972 0.86 ESRRG (0.46) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7224299 0.86 NPC1 (0.45) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7231089 0.85 CHRNA7 (0.37) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7224323 0.85 MEN1 (0.38) F10F2MEN1GAAHTT
SCHEMBL7234416 0.85 F10 (0.37) F10F2MEN1GAAHTT
SCHEMBL7223422 0.85 HPGD (0.38) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7223518 0.84 CHRNA7 (0.60) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7223682 0.84 AKT1 (0.40) 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