SCHEMBL5848274

SCHEMBL5848274

O=C(O)c1cc(C=CC2CC3CCC2N3)on1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
RARA P10276 2/20 0.32
RARG P13631 2/20 0.32
RXRA P19793 2/20 0.32
RXRG P48443 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SLC6A3 Q01959 2/20 0.30
SLC6A4 P31645 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL5848270 1.00 CHRNB2 (0.36) CHRNB2CHRNA4RARARARGRXRA
SCHEMBL5849355 1.00 CHRNB2 (0.36) CHRNB2CHRNA4RARARARGRXRA
SCHEMBL5847850 0.81 CHRNB2 (0.53) CHRNB2CHRNA4
SCHEMBL5847841 0.81 CHRNB2 (0.53) CHRNB2CHRNA4
SCHEMBL5847985 0.73 CHRNB2 (0.45) CHRNB2CHRNA4
SCHEMBL5847977 0.73 CHRNB2 (0.45) CHRNB2CHRNA4
SCHEMBL5848281 0.72 CHRNB2 (0.34) CHRNB2CHRNA4ALDH1A1
SCHEMBL5848280 0.72 CHRNB2 (0.34) CHRNB2CHRNA4ALDH1A1
SCHEMBL5848286 0.72 CHRNB2 (0.34) CHRNB2CHRNA4ALDH1A1
SCHEMBL5848254 0.71 CHRNB2 (0.48) CHRNB2CHRNA4

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
US-7022706-B2 Pharmaceutical compositions and methods for use TARGACEPT, INC. (US) 2006-04-04 US disclosed
US-6624167-B1 Compounds that are capable of affecting nicotinic cholinergic receptors. A wide variety of conditions and disorders, and particularly conditions and disorders associated with dysfunction of the central and autonomic nervous systems can TARGACEPT, INC. 2003-09-23 US disclosed
EP-1305316-A2 AZABICYCLIC DERIVATIVES AND THEIR THERAPEUTIC USE Targacept, Inc. (US) 2003-05-02 EP disclosed
WO-2002012245-A2 AZABICYCLIC DERIVATIVES AND THEIR THERAPEUTIC USE TARGACEPT, INC. (US) 2002-02-14 WO disclosed