SCHEMBL7224685

SCHEMBL7224685

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(-c2ccccc2N2CCOCC2)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 11/20 0.43
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
MAPK14 Q16539 1/20 0.41
HTR3E A5X5Y0 5/20 0.40
HTR3B O95264 5/20 0.40
HTR3A P46098 5/20 0.40
HTR3D Q70Z44 5/20 0.40
HTR3C Q8WXA8 5/20 0.40
MITF O75030 1/20 0.39
HSP90AA1 P07900 1/20 0.39
DYRK1A Q13627 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PRKDC P78527 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL7224982 0.84 CHRNA7 (0.44) CHRNA7MAPK13MAPK12MAPK11MAPK14
SCHEMBL7230230 0.83 GAA (0.38) CHRNA7MITFHSP90AA1MEN1KMT2A
SCHEMBL7232904 0.83 MITF (0.38) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7223520 0.82 CHRNA7 (0.45) CHRNA7MAPK13MAPK12MAPK11MAPK14
SCHEMBL7225752 0.81 CHRNA7 (0.45) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7226017 0.80 MAPT (0.46) MITFHSP90AA1MEN1KMT2ANPSR1
SCHEMBL7223518 0.80 CHRNA7 (0.60) CHRNA7MAPK13MAPK12MAPK11MAPK14
SCHEMBL7225664 0.80 HPGD (0.48) CHRNA7MAPK13MAPK12MAPK11MAPK14
SCHEMBL7225837 0.80 CHRNA7 (0.44) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7062848 0.80 CHRNA7 (0.68) 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