SCHEMBL4725985

SCHEMBL4725985

FCCCCC#Cc1cncc(OCC2CCCN2)c1

nearest known ligand 0.79

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 13/20 0.69
CHRNA4 P43681 9/20 0.69
CHRNA3 P32297 6/20 0.69
CHRNA2 Q15822 6/20 0.69
CHRNB4 P30926 5/20 0.69
CHRNA6 Q15825 1/20 0.52

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
SCHEMBL2501636 1.00 CHRNB2 (0.69) CHRNB2CHRNA4CHRNA3CHRNA2CHRNB4
SCHEMBL4726141 0.92 CHRNB2 (0.80) CHRNB2CHRNA4CHRNA3CHRNA2CHRNB4
SCHEMBL2501437 0.92 CHRNB2 (0.80) CHRNB2CHRNA4CHRNA3CHRNA2CHRNB4
SCHEMBL2495855 0.89 CHRNB2 (0.86) CHRNB2CHRNA4CHRNA3CHRNA2CHRNB4
SCHEMBL4727391 0.89 CHRNB2 (0.86) CHRNB2CHRNA4CHRNA3CHRNA2CHRNB4
SCHEMBL13322059 0.89 CHRNB2 (0.69) CHRNB2CHRNA4CHRNA3CHRNA2CHRNB4
SCHEMBL6582561 0.88 CHRNB2 (0.67) CHRNB2CHRNA4CHRNA3CHRNA2CHRNB4
SCHEMBL6583259 0.88 CHRNB2 (0.67) CHRNB2CHRNA4CHRNA3CHRNA2CHRNB4
SCHEMBL14941338 0.88 CHRNB2 (0.70) CHRNB2CHRNA4CHRNA3CHRNA2CHRNB4
SCHEMBL16321888 0.88 CHRNB2 (0.70) CHRNB2CHRNA4CHRNA3CHRNA2CHRNB4

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