SCHEMBL4726260

SCHEMBL4726260

CC(Oc1cncc(C#CCCCCBr)c1)C1CCCN1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 15/20 0.47
CHRNA3 P32297 10/20 0.47
CHRNA2 Q15822 10/20 0.47
CHRNA4 P43681 7/20 0.47
CHRNB4 P30926 6/20 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
SCHEMBL8508105 0.90 CHRNB2 (0.47) CHRNB2CHRNA3CHRNA2CHRNA4CHRNB4
SCHEMBL6231725 0.90 CHRNB2 (0.59) CHRNB2CHRNA3CHRNA2CHRNA4CHRNB4
SCHEMBL8508784 0.90 CHRNB2 (0.47) CHRNB2CHRNA3CHRNA2CHRNA4CHRNB4
SCHEMBL4725595 0.90 CHRNB2 (0.52) CHRNB2CHRNA3CHRNA2CHRNA4CHRNB4
SCHEMBL6235459 0.90 CHRNB2 (0.51) CHRNB2CHRNA3CHRNA2CHRNA4CHRNB4
SCHEMBL4779799 0.90 CHRNB2 (0.51) CHRNB2CHRNA3CHRNA2CHRNA4CHRNB4
SCHEMBL4779724 0.89 CHRNB2 (0.58) CHRNB2CHRNA3CHRNA2CHRNA4CHRNB4
Hydrochloric Acid SCHEMBL8584830 0.89 CHRNB2 (0.58) CHRNB2CHRNA3CHRNA2CHRNA4CHRNB4
SCHEMBL8508192 0.89 CHRNB2 (0.45) CHRNB2CHRNA3CHRNA2CHRNA4CHRNB4
SCHEMBL8506710 0.85 CHRNB2 (0.42) CHRNB2CHRNA3CHRNA2CHRNA4CHRNB4

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
WO-2008011484-A2 NICOTINIC DESENSITIZERS AND METHODS OF SELECTING, TESTING, AND USING THEM BETHESDA PHARMACOLOGY ASSOCIATES, LLC (US) 2008-01-24 WO disclosed