SCHEMBL6152751

SCHEMBL6152751

Nc1ccc(C=CC(=O)NC2CN3CCC2CC3)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 6/20 0.51
HTR3E A5X5Y0 1/20 0.46
HTR3B O95264 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
HTR3A P46098 1/20 0.46
HTR3D Q70Z44 1/20 0.46
HTR3C Q8WXA8 1/20 0.46
CHRM3 P20309 5/20 0.45
CHRM2 P08172 4/20 0.45
CHRM1 P11229 4/20 0.45
MAPK1 P28482 1/20 0.45
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL6152749 1.00 CHRNA7 (0.51) CHRNA7HTR3EHTR3BALOX15TSHR
SCHEMBL6152637 1.00 CHRNA7 (0.51) CHRNA7HTR3EHTR3BALOX15TSHR
SCHEMBL6152636 1.00 CHRNA7 (0.51) CHRNA7HTR3EHTR3BALOX15TSHR
SCHEMBL9412007 0.88 MMP1 (0.49) CHRNA7HTR3EHTR3BALOX15TSHR
SCHEMBL6153275 0.87 CHRNA7 (0.51) CHRNA7HTR3EHTR3BALOX15TSHR
SCHEMBL5986985 0.87 CHRNA7 (0.51) CHRNA7HTR3EHTR3BALOX15TSHR
SCHEMBL6152576 0.87 CHRNA7 (0.51) CHRNA7HTR3EHTR3BALOX15TSHR
SCHEMBL5988208 0.87 CHRNA7 (0.62) CHRNA7HTR3EHTR3BALOX15TSHR
SCHEMBL5986988 0.87 CHRNA7 (0.51) CHRNA7HTR3EHTR3BALOX15TSHR
SCHEMBL6152593 0.87 CHRNA7 (0.62) CHRNA7HTR3EHTR3BALOX15TSHR

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-1233964-B1 NEW USE AND NOVEL N-AZABICYCLO-AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2005-06-22 EP claimed
EP-0581165-A2 Acrylamide derivatives as antirussive agent DOMPE' FARMACEUTICI S.p.A. (IT) 1994-02-02 EP disclosed