SCHEMBL7364566

SCHEMBL7364566

CN1CCC[C@H]1COc1cnc2ccccc2c1

nearest known ligand 0.78

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 13/20 0.78
CHRNB1 P11230 11/20 0.78
CHRNB4 P30926 11/20 0.78
CHRNA3 P32297 11/20 0.78
CHRNB3 Q05901 11/20 0.78
CHRNA4 P43681 5/20 0.65
CHRNA7 P36544 2/20 0.65
JAK2 O60674 1/20 0.60
CHRNA1 P02708 1/20 0.60

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 SCHEMBL7516445 0.99 CHRNB2 (0.76) CHRNB2CHRNB1CHRNB4CHRNA3CHRNB3
SCHEMBL6583143 0.88 CHRNB1 (1.00) CHRNB2CHRNB1CHRNB4CHRNA3CHRNB3
Hydrochloric Acid SCHEMBL6585247 0.87 CHRNB1 (0.98) CHRNB2CHRNB1CHRNB4CHRNA3CHRNB3
SCHEMBL9242858 0.79 CHRNB4 (0.70) CHRNB2CHRNB1CHRNB4CHRNA3CHRNB3
SCHEMBL9243572 0.79 CHRNB4 (0.70) CHRNB2CHRNB1CHRNB4CHRNA3CHRNB3
SCHEMBL27003329 0.79 CHRNB2 (0.56) CHRNB2CHRNB1CHRNB4CHRNA3CHRNB3
SCHEMBL8435487 0.78 CHRNB2 (0.52) CHRNB2CHRNB1CHRNB4CHRNA3CHRNB3
Hydrochloric Acid SCHEMBL9243322 0.78 CHRNB4 (0.68) CHRNB2CHRNB1CHRNB4CHRNA3CHRNB3
Hydrochloric Acid SCHEMBL9243326 0.78 CHRNB4 (0.68) CHRNB2CHRNB1CHRNB4CHRNA3CHRNB3
SCHEMBL6583157 0.78 CHRNB1 (1.00) CHRNB2CHRNB1CHRNB4CHRNA3CHRNB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0663912-B1 HETEROCYCLIC ETHER COMPOUNDS THAT ENHANCE COGNITIVE FUNCTION ABBOTT LAB (US) 2001-12-12 EP claimed
US-5914328-A CONTROL DOPAMINE RELEASE, ACTIVATE CHOLINERGIC CHANNELS ABBOTT LABORATORIES (US) 1999-06-22 US claimed
EP-0663912-A1 HETEROCYCLIC ETHER COMPOUNDS THAT ENHANCE COGNITIVE FUNCTION ABBOTT LABORATORIES (US) 1995-07-26 EP claimed
EP-0663912-A4 HETEROCYCLIC ETHER COMPOUNDS THAT ENHANCE COGNITIVE FUNCTION. ABBOTT LAB (US) 1995-02-17 EP claimed
WO-1994008992-A1 HETEROCYCLIC ETHER COMPOUNDS THAT ENHANCE COGNITIVE FUNCTION ABBOTT LABORATORIES (US) 1994-04-28 WO claimed
EP-0663912-B1 HETEROCYCLIC ETHER COMPOUNDS THAT ENHANCE COGNITIVE FUNCTION ABBOTT LAB (US) 2001-12-12 EP disclosed
US-5914328-A CONTROL DOPAMINE RELEASE, ACTIVATE CHOLINERGIC CHANNELS ABBOTT LABORATORIES (US) 1999-06-22 US disclosed
EP-0663912-A1 HETEROCYCLIC ETHER COMPOUNDS THAT ENHANCE COGNITIVE FUNCTION ABBOTT LABORATORIES (US) 1995-07-26 EP disclosed
EP-0663912-A4 HETEROCYCLIC ETHER COMPOUNDS THAT ENHANCE COGNITIVE FUNCTION. ABBOTT LAB (US) 1995-02-17 EP disclosed
WO-1994008992-A1 HETEROCYCLIC ETHER COMPOUNDS THAT ENHANCE COGNITIVE FUNCTION ABBOTT LABORATORIES (US) 1994-04-28 WO disclosed