SCHEMBL3858062

SCHEMBL3858062

CN(C)C1CCN(C(=O)c2ccc(NC(=O)c3cc4ccccc4oc3=O)cc2)C1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAOA P21397 12/20 0.58
MAOB P27338 12/20 0.58
F12 P00748 1/20 0.54
MAPK1 P28482 1/20 0.51
ATR Q13535 1/20 0.51

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
SCHEMBL16384134 0.81 MAOA (0.68) MAOAMAOBF12MAPK1
SCHEMBL2885719 0.81 ATR (0.55) ATR
SCHEMBL2885651 0.81 ATR (0.57) ATR
SCHEMBL2889859 0.77 IKBKB (0.54) ATR
SCHEMBL2890336 0.77 ATR (0.55) ATR
SCHEMBL2889406 0.76 MCHR1 (0.73) ATR
SCHEMBL11462954 0.76 MAOB (0.91) MAOAMAOBF12MAPK1
SCHEMBL2890112 0.76 ATR (0.56) MAPK1ATR
SCHEMBL4389144 0.74 MAOA (1.00) MAOAMAOBF12MAPK1
SCHEMBL2888136 0.74 CHRNA7 (0.54) ATR

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
EP-2027086-A2 N-BENZOYL-AND N-BENZYLPYRROLIDIN-3-YLAMINES AS HISTAMINE-3 ANTAGONISTS Wyeth (US) 2009-02-25 EP claimed
WO-2007136668-A2 N-BENZOYL-AND N-BENZYLPYRROLIDIN-3-YLAMINES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2007-11-29 WO claimed