SCHEMBL6584901

SCHEMBL6584901

CCC#CCCCCc1ncccc1OC[C@@H]1CCN1C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 12/20 0.38
F2RL3 Q96RI0 2/20 0.36
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
POLB P06746 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CHRNB1 P11230 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
CHRNB3 Q05901 1/20 0.33

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
SCHEMBL6584804 0.90 GPR119 (0.40) GPR119F2RL3ALOX5APFEN1POLB
Hydrochloric Acid SCHEMBL6583430 0.80 CHRNB4 (0.47) CHRNB1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL7409193 0.78 CHRNB2 (0.54) GPR119F2RL3CHRNB1CHRNB2CHRNB4
SCHEMBL7453857 0.78 CHRNB2 (0.54) GPR119F2RL3CHRNB1CHRNB2CHRNB4
SCHEMBL7415559 0.77 POLB (0.50) GPR119F2RL3ALOX5APFEN1POLB
SCHEMBL7484779 0.77 POLB (0.50) GPR119F2RL3ALOX5APFEN1POLB
Hydrochloric Acid SCHEMBL6581806 0.77 CHRNB4 (0.56) CHRNB1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6587105 0.76 F2RL3 (0.41) GPR119F2RL3ALOX5APFEN1POLB
SCHEMBL7415126 0.72 CHRNB2 (0.61) GPR119F2RL3ALOX5APFEN1CHRNB1
Hydrochloric Acid SCHEMBL6584849 0.72 CHRNB2 (0.46) CHRNB1CHRNB2CHRNB4CHRNA3CHRNA4

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
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
US-5629325-A TREATMENT OF NERVOUS SYSTEM DISORDERS; NEURONAL NICOTINIC CHOLINERGIC COMPOUNDS ABBOTT LABORATORIES (US) 1997-05-13 US disclosed