SCHEMBL5266545

SCHEMBL5266545

O=C(NC1CN2CCC1CC2)c1cccc2ccc(-c3ccccc3)nc12

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 10/20 0.58
KCNH2 Q12809 1/20 0.57
CHRNA7 P36544 5/20 0.54
HTR3E A5X5Y0 4/20 0.54
HTR3B O95264 4/20 0.54
HTR3D Q70Z44 4/20 0.54
HTR3C Q8WXA8 4/20 0.54

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
SCHEMBL1032402 0.86 CHRNA7 (0.52) HTR3AKCNH2CHRNA7
SCHEMBL5268531 0.84 HTR3A (0.61) HTR3AKCNH2
SCHEMBL5267272 0.81 HTR3A (0.63) HTR3AKCNH2CHRNA7HTR3EHTR3B
SCHEMBL5270359 0.81 HTR3A (0.63) HTR3AKCNH2CHRNA7HTR3EHTR3B
SCHEMBL5269864 0.81 HTR3A (0.62) HTR3AKCNH2
SCHEMBL7122170 0.81 CHRNA7 (0.61) HTR3ACHRNA7HTR3EHTR3BHTR3D
SCHEMBL2962024 0.79 HTR3A (0.73) HTR3AKCNH2CHRNA7HTR3EHTR3B
SCHEMBL5264415 0.79 HTR3A (0.61) HTR3AKCNH2
SCHEMBL23722904 0.79 USP30 (0.63) HTR3ACHRNA7HTR3EHTR3BHTR3D
SCHEMBL1460522 0.79 CHRNA7 (0.69) HTR3ACHRNA7HTR3EHTR3BHTR3D

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
EP-1448530-B1 HETEROARYL CARBOXYLIC ACID AMIDES BAYER HEALTHCARE AG (DE) 2007-10-03 EP disclosed