SCHEMBL6652599

SCHEMBL6652599

CC(=O)c1cc2cc(C(=O)NC3C4CCN(CC4)C3C)ccc2o1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 18/20 0.47
CHRNB2 P17787 11/20 0.46
CHRNA4 P43681 11/20 0.46
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
CASP1 P29466 1/20 0.42
BRCA1 P38398 1/20 0.42
CASP7 P55210 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KCNH2 Q12809 1/20 0.42
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
CYP2D6 P10635 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41

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
SCHEMBL6758500 1.00 CHRNA7 (0.47) CHRNA7CHRNB2CHRNA4KDM4EALDH1A1
SCHEMBL6687078 0.92 CHRNA7 (0.46) CHRNA7CHRNB2CHRNA4KCNH2HTR3E
SCHEMBL6758515 0.92 CHRNA7 (0.46) CHRNA7CHRNB2CHRNA4KCNH2HTR3E
SCHEMBL6755095 0.87 CHRNA7 (0.61) CHRNA7CHRNB2CHRNA4HTR3EHTR3B
SCHEMBL6805838 0.87 CHRNA7 (0.61) CHRNA7CHRNB2CHRNA4HTR3EHTR3B
SCHEMBL6758226 0.84 CHRNA7 (0.46) CHRNA7CHRNB2CHRNA4KCNH2HTR3E
SCHEMBL6759418 0.83 CHRNA7 (0.46) CHRNA7CHRNB2CHRNA4HTR3EHTR3B
SCHEMBL5917958 0.81 CHRNA7 (0.62) CHRNA7HTR3EHTR3BCYP2D6HTR3A
SCHEMBL6802970 0.81 CHRNA7 (0.62) CHRNA7HTR3EHTR3BCYP2D6HTR3A
SCHEMBL6630638 0.81 CHRNA7 (0.62) CHRNA7HTR3EHTR3BCYP2D6HTR3A

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-1476448-A2 AZABICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-11-17 EP claimed
WO-2003070731-A2 AZABICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2003-08-28 WO claimed