SCHEMBL6844308

SCHEMBL6844308

C=CNC(=O)c1cc2occc2cn1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 6/20 0.40
HTR3A P46098 3/20 0.40
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
NTRK1 P04629 1/20 0.39
DYRK1A Q13627 2/20 0.38
KMO O15229 1/20 0.35
NAMPT P43490 1/20 0.34
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
WNT1 P04628 1/20 0.34
EGFR P00533 2/20 0.33
HTR1B P28222 1/20 0.33
MGLL Q99685 1/20 0.33

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
SCHEMBL844863 0.77 KMO (0.54) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL30110620 0.75 LCK (0.44) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL844237 0.75 LCK (0.48) CHRNA7HTR3ANTRK1HTR1B
SCHEMBL5704712 0.68 CHRNA7 (0.84) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6009103 0.68 CHRNA7 (0.84) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL842944 0.67 CHRNA7 (0.76) CHRNA7HTR3AHTR3EHTR3BHTR3D
Hydrochloric Acid SCHEMBL6008706 0.67 CHRNA7 (0.82) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL843041 0.67 CHRNA7 (0.47) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL843871 0.67 CHRNA7 (0.75) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL14608864 0.67 CHRNA7 (0.49) CHRNA7HTR3AHTR3EHTR3BHTR3D

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-1406901-A1 QUINUCLIDINES-SUBSTITUTED-MULTI-CYCLIC-HETEROARYLS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-04-14 EP disclosed
WO-2002100857-A1 QUINUCLIDINES-SUBSTITUTED-MULTI-CYCLIC-HETEROARYLS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2002-12-19 WO disclosed