SCHEMBL7413974

SCHEMBL7413974

CN1CC[C@H]1COc1cncc(Cl)c1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 12/20 0.63
CHRNA4 P43681 7/20 0.63
CHRNA3 P32297 8/20 0.62
CHRNB4 P30926 6/20 0.62
CHRNB1 P11230 5/20 0.62
CHRNB3 Q05901 5/20 0.62
DAPK3 O43293 1/20 0.62
ROCK2 O75116 1/20 0.62
PRKCG P05129 1/20 0.62
PIM1 P11309 1/20 0.62
RPS6KB1 P23443 1/20 0.62
AKT1 P31749 1/20 0.62
LIMK1 P53667 1/20 0.62
CDK5 Q00535 1/20 0.62
PRKCD Q05655 1/20 0.62
PAK1 Q13153 1/20 0.62
STK3 Q13188 1/20 0.62
ROCK1 Q13464 1/20 0.62
DYRK1A Q13627 1/20 0.62
CDC42BPA Q5VT25 1/20 0.62

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
Hydrochloric Acid SCHEMBL7412247 0.99 CHRNB2 (0.65) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB1
SCHEMBL7365524 0.92 CHRNB2 (0.74) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB1
SCHEMBL7372286 0.92 CHRNB2 (0.74) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB1
SCHEMBL30444082 0.92 CHRNB2 (0.74) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB1
Hydrochloric Acid SCHEMBL7836957 0.91 CHRNB2 (0.72) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB1
Hydrochloric Acid SCHEMBL7838167 0.91 CHRNB2 (0.72) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB1
SCHEMBL13308144 0.84 CHRNB2 (0.84) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB1
SCHEMBL7408002 0.84 CHRNB2 (0.64) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB1
SCHEMBL7409960 0.84 CHRNB2 (0.64) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB1
SCHEMBL7410123 0.84 CHRNB2 (0.84) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5948793-A 3-pyridyloxymethyl heterocyclic ether compounds useful in controlling neurotransmitter release ABBOTT LABORATORIES (US) 1999-09-07 US claimed
EP-1047690-A1 HETEROCYCLIC ETHER AND THIOETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION Abbott Laboratories (US) 2000-11-02 EP disclosed
US-5948793-A 3-pyridyloxymethyl heterocyclic ether compounds useful in controlling neurotransmitter release ABBOTT LABORATORIES (US) 1999-09-07 US disclosed
WO-1999032480-A1 HETEROCYCLIC ETHER AND THIOETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LABORATORIES (US) 1999-07-01 WO disclosed
US-5914328-A CONTROL DOPAMINE RELEASE, ACTIVATE CHOLINERGIC CHANNELS ABBOTT LABORATORIES (US) 1999-06-22 US disclosed