SCHEMBL4725367

SCHEMBL4725367

CN1CCCC1COc1cncc(C#Cc2ccccc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 15/20 1.00
CHRNA3 P32297 14/20 1.00
CHRNB4 P30926 7/20 1.00
CHRNB1 P11230 6/20 1.00
CHRNB3 Q05901 6/20 1.00
CHRNA4 P43681 3/20 0.87
CHRNA2 Q15822 1/20 0.70
JAK2 O60674 1/20 0.67

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
SCHEMBL2501426 1.00 CHRNB2 (1.00) CHRNB2CHRNA3CHRNB4CHRNB1CHRNB3
Hydrochloric Acid SCHEMBL6585118 0.99 CHRNB2 (0.98) CHRNB2CHRNA3CHRNB4CHRNB1CHRNB3
SCHEMBL14941055 0.93 CHRNB2 (1.00) CHRNB2CHRNA3CHRNB4CHRNB1CHRNB3
SCHEMBL14941054 0.93 CHRNB2 (1.00) CHRNB2CHRNA3CHRNB4CHRNB1CHRNB3
SCHEMBL6583548 0.90 CHRNB2 (1.00) CHRNB2CHRNA3CHRNB4CHRNB1CHRNB3
Hydrochloric Acid SCHEMBL6585308 0.89 CHRNB2 (0.98) CHRNB2CHRNA3CHRNB4CHRNB1CHRNB3
SCHEMBL8305152 0.87 CHRNB2 (0.77) CHRNB2CHRNA3CHRNB4CHRNB1CHRNB3
SCHEMBL12190816 0.87 CHRNB2 (0.77) CHRNB2CHRNA3CHRNB4CHRNB1CHRNB3
SCHEMBL12190815 0.85 CHRNB2 (0.81) CHRNB2CHRNA3CHRNB4CHRNB1CHRNB3
SCHEMBL13308403 0.85 CHRNB2 (0.74) CHRNB2CHRNA3CHRNB4CHRNB1CHRNB3

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