SCHEMBL7665384

SCHEMBL7665384

C=CCc1cc(OC[C@@H]2CCCN2C(=O)OC(C)(C)C)cnc1Cl

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.42
FEN1 P39748 1/20 0.42
GPR119 Q8TDV5 2/20 0.40
CHRNB4 P30926 2/20 0.40
CHRNA3 P32297 2/20 0.40
CHRNA7 P36544 1/20 0.40
ALDH1A1 P00352 1/20 0.39
F2RL3 Q96RI0 2/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38

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
SCHEMBL6587322 1.00 ALOX5AP (0.42) ALOX5APFEN1GPR119CHRNB4CHRNA3
SCHEMBL6585258 0.95 ALOX5AP (0.39) ALOX5APFEN1GPR119CHRNB4CHRNA3
SCHEMBL6588302 0.95 ALOX5AP (0.39) ALOX5APFEN1GPR119CHRNB4CHRNA3
SCHEMBL7667587 0.94 ALOX5AP (0.37) ALOX5APFEN1GPR119CHRNB4CHRNA3
SCHEMBL7831947 0.89 ALOX5AP (0.45) ALOX5APFEN1GPR119CHRNB4CHRNA3
SCHEMBL6582717 0.89 ALOX5AP (0.34) ALOX5APFEN1GPR119F2RL3
SCHEMBL6585343 0.87 ALOX5AP (0.43) ALOX5APFEN1GPR119CHRNB4CHRNA3
SCHEMBL7675594 0.87 ALOX5AP (0.43) ALOX5APFEN1GPR119CHRNB4CHRNA3
SCHEMBL7827305 0.85 ALOX5AP (0.47) ALOX5APFEN1GPR119CHRNB4CHRNA3
SCHEMBL6620281 0.85 ALOX5AP (0.47) ALOX5APFEN1GPR119CHRNB4CHRNA3

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
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