SCHEMBL1376017

SCHEMBL1376017

N#Cc1cccc(C(CN2CCC(OC(=O)Nc3ccccc3)CC2)(c2cccnc2)c2cccnc2)c1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BCHE P06276 6/20 0.48
SGMS2 Q8NHU3 1/20 0.43
CCR3 P51677 3/20 0.43
CHRNA7 P36544 2/20 0.42
MAOB P27338 1/20 0.40
ACHE P22303 1/20 0.40
THRB P10828 1/20 0.40
GRM5 P41594 1/20 0.40
FAAH O00519 2/20 0.39
MGLL Q99685 1/20 0.39

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
SCHEMBL1242438 0.76 MGLL (0.46) BCHESGMS2CHRNA7ACHETHRB
SCHEMBL1379999 0.73 CYP3A4 (0.39)
SCHEMBL1240763 0.72 F10 (0.40)
SCHEMBL1377411 0.67 DGAT2 (0.56)
SCHEMBL372740 0.67 CHRNA7 (0.75) CHRNA7
SCHEMBL1376732 0.66 VNN1 (0.39) SGMS2GRM5
SCHEMBL9115516 0.65 RHOA (0.46) BCHECCR3FAAH
SCHEMBL28171857 0.65 BCHE (0.70) BCHECCR3MAOBACHE
SCHEMBL1242753 0.64 KCNA5 (0.50) CCR3CHRNA7ACHETHRB
Oxalic Acid SCHEMBL9050037 0.64 CHRM3 (0.61)

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
JP-4719745-B2 2011-07-06 JP claimed