SCHEMBL4726141

SCHEMBL4726141

FCCCCC#Cc1cncc(OCC2CCN2)c1

nearest known ligand 0.80

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 14/20 0.80
CHRNA4 P43681 11/20 0.80
CHRNA2 Q15822 3/20 0.80
CHRNA3 P32297 3/20 0.80
CHRNB4 P30926 2/20 0.80
CHRNA6 Q15825 1/20 0.61

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
SCHEMBL2501437 1.00 CHRNB2 (0.80) CHRNB2CHRNA4CHRNA2CHRNA3CHRNB4
SCHEMBL4725985 0.92 CHRNB2 (0.69) CHRNB2CHRNA4CHRNA2CHRNA3CHRNB4
SCHEMBL2501636 0.92 CHRNB2 (0.69) CHRNB2CHRNA4CHRNA2CHRNA3CHRNB4
SCHEMBL2843467 0.89 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA2CHRNA3CHRNB4
SCHEMBL2495999 0.89 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA2CHRNA3CHRNB4
SCHEMBL7674769 0.88 CHRNB2 (0.78) CHRNB2CHRNA4CHRNA2CHRNA3CHRNB4
Hydrochloric Acid SCHEMBL29454390 0.88 CHRNB2 (0.98) CHRNB2CHRNA4CHRNA2CHRNA3CHRNB4
SCHEMBL16321698 0.87 CHRNB2 (0.78) CHRNB2CHRNA4CHRNA2CHRNA3CHRNB4
SCHEMBL14940937 0.87 CHRNB2 (0.78) CHRNB2CHRNA4CHRNA2CHRNA3CHRNB4
SCHEMBL7666187 0.87 CHRNB2 (0.78) CHRNB2CHRNA4CHRNA2CHRNA3CHRNB4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8642612-B2 Nicotinic desensitizers and methods of selecting, testing, and using them POTOMAC PHARMACEUTICALS, INC. (US) 2014-02-04 US disclosed
WO-2008011484-A2 NICOTINIC DESENSITIZERS AND METHODS OF SELECTING, TESTING, AND USING THEM BETHESDA PHARMACOLOGY ASSOCIATES, LLC (US) 2008-01-24 WO disclosed
WO-2008011484-A2 NICOTINIC DESENSITIZERS AND METHODS OF SELECTING, TESTING, AND USING THEM BETHESDA PHARMACOLOGY ASSOCIATES, LLC (US) 2008-01-24 WO disclosed