SCHEMBL7224982

SCHEMBL7224982

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(-c2ccc(N3CCOCC3)cc2)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 6/20 0.44
HTR3E A5X5Y0 5/20 0.44
HTR3B O95264 5/20 0.44
HTR3A P46098 5/20 0.44
HTR3D Q70Z44 5/20 0.44
HTR3C Q8WXA8 5/20 0.44
MAPKAPK2 P49137 1/20 0.43
ESR1 P03372 1/20 0.40
ESRRG P62508 1/20 0.40
ESR2 Q92731 1/20 0.40
PTPN1 P18031 1/20 0.40
PTPN11 Q06124 1/20 0.40
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 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
SCHEMBL7223520 0.92 CHRNA7 (0.45) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7224685 0.84 CHRNA7 (0.43) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7222867 0.84 ICAM1 (0.38) MEN1LMNAMAPTKMT2AF10
SCHEMBL7224240 0.84 F10 (0.35) MEN1LMNAMAPTKMT2AF10
SCHEMBL7224991 0.82 ESRRG (0.46) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7231972 0.82 ESRRG (0.46) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL375517 0.82 CHRNA7 (0.57) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7223338 0.82 CHRNA7 (0.57) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7224704 0.81 MAPKAPK2 (0.44) MAPKAPK2MEN1LMNAMAPTKMT2A
SCHEMBL7225375 0.81 GUSB (0.40) KMT2A

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