SCHEMBL7033005

SCHEMBL7033005

Cc1nccc2c(cc[nH]1)CC1CNCC2C1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 17/20 0.55
CHRNA4 P43681 17/20 0.55
CHRNB4 P30926 4/20 0.47
CHRNA3 P32297 4/20 0.47
CHRNA7 P36544 4/20 0.47

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
SCHEMBL3831053 0.73 CHRNB2 (0.61) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL5994733 0.72 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
Hydrochloric Acid SCHEMBL7137773 0.70 CHRNB2 (0.96) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL6443428 0.70 CHRNB2 (0.68) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL3832879 0.70 CHRNB2 (0.61) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL3834394 0.68 CHRNB2 (0.56) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL19139453 0.66 CHRNB2 (0.65) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL5685941 0.64 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL3829638 0.64 CHRNB2 (0.57) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL5685945 0.64 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7

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-20030176457-A1 Pharmaceutical composition for the treatment of obesity or to facilitate or promote weight loss PFIZER INC. 2003-09-18 US claimed