SCHEMBL6583583

SCHEMBL6583583

C=CCc1cncc(OC[C@@H]2CCCN2C)c1

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 11/20 0.74
CHRNA4 P43681 6/20 0.74
CHRNA3 P32297 7/20 0.70
CHRNB4 P30926 6/20 0.70
CHRNB1 P11230 5/20 0.70
CHRNB3 Q05901 5/20 0.70
JAK2 O60674 1/20 0.70

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
SCHEMBL6584040 1.00 CHRNB2 (0.74) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB1
Hydrochloric Acid SCHEMBL6584274 0.99 CHRNB2 (0.73) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB1
SCHEMBL905240 0.85 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB1
SCHEMBL1506416 0.85 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB1
Hydrochloric Acid SCHEMBL8435512 0.84 CHRNB2 (0.98) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB1
SCHEMBL13354155 0.84 CHRNB2 (0.79) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB1
Hydrochloric Acid SCHEMBL8435354 0.84 CHRNB2 (0.97) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB1
SCHEMBL905213 0.83 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB1
SCHEMBL13354110 0.83 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB1
SCHEMBL6585953 0.83 CHRNB2 (0.71) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6127386-A STIMULANTS, NEUROTRANSMITTERS, CHOLINERGIC AGENTS ABBOTT LABORATORIES (US) 2000-10-03 US claimed
EP-0934308-B1 3-PYRIDYLOXYMETHYL HETEROCYCLIC ETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LAB (US) 2004-08-11 EP disclosed
US-6437138-B1 5-BROMO-6-CHLORO-3-(2-(S)-AZETIDINYL OR PYRROLIDINYL-METHOXY) PYRIDINE INTERMEDIATES FOR THE 5-SUBSTITUTED COMPOUNDS WHICH ARE POTENT LIGANDS AT NEURONAL NICOTINIC CHOLINERGIC CHANNEL RECEPTORS, NEUROTRANSMITTER CONTROLLING AGENTS ABBOTT LABORATORIES 2002-08-20 US disclosed
US-6127386-A STIMULANTS, NEUROTRANSMITTERS, CHOLINERGIC AGENTS ABBOTT LABORATORIES (US) 2000-10-03 US disclosed