SCHEMBL6583997

SCHEMBL6583997

CC(=O)Nc1cnc(C)c(OC[C@@H]2CCN2C(=O)OC(C)(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
GPR119 Q8TDV5 3/20 0.38
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
NPC1 O15118 1/20 0.37
OPRK1 P41145 1/20 0.37
GCK P35557 1/20 0.37
CCR3 P51677 1/20 0.36
MAPT P10636 1/20 0.36
UCHL1 P09936 2/20 0.36
USP30 Q70CQ3 1/20 0.36
F2RL3 Q96RI0 4/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PIK3CD O00329 1/20 0.35

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
SCHEMBL21985454 0.85 ALOX5AP (0.40) GPR119ALOX5APFEN1MAPTF2RL3
SCHEMBL14941693 0.83 ALOX5AP (0.39) GPR119ALOX5APFEN1UCHL1USP30
SCHEMBL3361927 0.83 ALOX5AP (0.39) GPR119ALOX5APFEN1UCHL1USP30
SCHEMBL8151782 0.82 CHRNA3 (0.46) OPRK1
SCHEMBL7667191 0.82 F2RL3 (0.36) ALOX5APUSP30F2RL3LMNANPSR1
Hydrochloric Acid SCHEMBL6588036 0.81 CHRNB2 (0.46) OPRK1
SCHEMBL7453857 0.79 CHRNB2 (0.54) GPR119GCKF2RL3
SCHEMBL7409193 0.79 CHRNB2 (0.54) GPR119GCKF2RL3
SCHEMBL21985057 0.78 CHRNB2 (0.53) GPR119ALOX5APFEN1F2RL3
SCHEMBL14941701 0.78 CHRNB2 (0.53) GPR119ALOX5APFEN1F2RL3

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
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