SCHEMBL6007849

SCHEMBL6007849

C[C@H]1[C@H](NC(=O)c2cc3cc(C#CCN4CCOCC4)oc3cn2)C2CCN1CC2

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 15/20 0.38
CHRNB2 P17787 9/20 0.38
CHRNA4 P43681 9/20 0.38
HTR3A P46098 4/20 0.38
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36
CSF1R P07333 1/20 0.36
RIPK1 Q13546 2/20 0.36

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
SCHEMBL6008979 0.93 CHRNA7 (0.39) CHRNA7CHRNB2CHRNA4HTR3AHTR3E
SCHEMBL6008956 0.91 CHRNA7 (0.37) CHRNA7CHRNB2CHRNA4HTR3AHTR3E
SCHEMBL6008783 0.84 CHRNA7 (0.36) CHRNA7CHRNB2CHRNA4HTR3AHTR3E
SCHEMBL6006569 0.83 CHRNA7 (0.41) CHRNA7CHRNB2CHRNA4HTR3AHTR3E
SCHEMBL6008858 0.82 CHRNA7 (0.39) CHRNA7CHRNB2CHRNA4HTR3AHTR3E
SCHEMBL6007497 0.82 CHRNA7 (0.39) CHRNA7CHRNB2CHRNA4HTR3AHTR3E
SCHEMBL6009143 0.80 PDE4B (0.36) CHRNA7CHRNB2CHRNA4HTR3ACSF1R
SCHEMBL6009277 0.80 CHRNA7 (0.41) CHRNA7CHRNB2CHRNA4HTR3AHTR3E
SCHEMBL6008218 0.79 CHRNA7 (0.44) CHRNA7CHRNB2CHRNA4HTR3AHTR3E
SCHEMBL7231620 0.78 CHRNA7 (0.43) CHRNA7CHRNB2CHRNA4HTR3AHTR3E

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
US-7067515-B2 Quinuclidines-substituted-multi-cyclic-heteroaryls for the treatment of disease PFIZER INC. (US) 2006-06-27 US claimed