SCHEMBL6976933

SCHEMBL6976933

c1ccc(-c2cncc(N3CCN4CCC3CC4)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 1/20 0.48
CHRNA3 P32297 1/20 0.48
CHRNA7 P36544 3/20 0.44
KCNH2 Q12809 1/20 0.43
HTR3A P46098 1/20 0.41

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
SCHEMBL5107874 0.95 CHRNB4 (0.44) CHRNB4CHRNA3CHRNA7KCNH2HTR3A
SCHEMBL5108247 0.92 CHRNB4 (0.49) CHRNB4CHRNA3CHRNA7
SCHEMBL5116146 0.92 CHRNB4 (0.46) CHRNB4CHRNA3CHRNA7KCNH2
Hydrochloric Acid SCHEMBL5121891 0.91 CHRNB4 (0.48) CHRNB4CHRNA3CHRNA7
SCHEMBL5123104 0.87 CHRNB4 (0.52) CHRNB4CHRNA3CHRNA7
SCHEMBL5110318 0.84 CHRNB4 (0.47) CHRNB4CHRNA3CHRNA7
SCHEMBL5111991 0.84 CHRNA7 (0.41) CHRNB4CHRNA3CHRNA7KCNH2HTR3A
SCHEMBL5114127 0.83 CHRNB4 (0.44) CHRNB4CHRNA3CHRNA7KCNH2HTR3A
SCHEMBL5107938 0.83 CHRNB4 (0.47) CHRNB4CHRNA3CHRNA7KCNH2HTR3A
SCHEMBL5108171 0.82 CHRNB4 (0.42) CHRNB4CHRNA3CHRNA7KCNH2HTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1135389-B1 1,4-DIAZABICYCLO 3.2.2]NONANE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC APPLICATION SANOFI SYNTHELABO (FR) 2003-09-10 EP disclosed
US-6407095-B1 TREATING NICOTINIC RECEPTOR, GASTROINTESTINAL, NERVOUS SYSTEM, PSYCHOLOGICAL, AND BRAIN DISORDERS SANOFI-SYNTHELABO (FR) 2002-06-18 US disclosed