SCHEMBL6817699

SCHEMBL6817699

C(=C\c1ccno1)\CC1CC2CCN1CC2

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.40
CHRNA4 P43681 3/20 0.40
CHRNA7 P36544 2/20 0.40
GAA P10253 1/20 0.34
ALPG P10696 1/20 0.34
GFER P55789 1/20 0.34

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
SCHEMBL6816559 1.00 CHRNB2 (0.40) CHRNB2CHRNA4CHRNA7GAAALPG
SCHEMBL6816567 1.00 CHRNB2 (0.40) CHRNB2CHRNA4CHRNA7GAAALPG
SCHEMBL6920211 0.95 CHRNB2 (0.36) CHRNB2CHRNA4CHRNA7GAAALPG
SCHEMBL6917989 0.95 CHRNB2 (0.36) CHRNB2CHRNA4CHRNA7GAAALPG
SCHEMBL6917992 0.95 CHRNB2 (0.36) CHRNB2CHRNA4CHRNA7GAAALPG
SCHEMBL6919001 0.93 CHRNB2 (0.35) CHRNB2CHRNA4CHRNA7
SCHEMBL6817104 0.93 CHRNB2 (0.35) CHRNB2CHRNA4CHRNA7
SCHEMBL6817103 0.93 CHRNB2 (0.35) CHRNB2CHRNA4CHRNA7
SCHEMBL6917873 0.92 CHRNA7 (0.35) CHRNB2CHRNA4CHRNA7GAAALPG
SCHEMBL6915428 0.92 CHRNA7 (0.35) CHRNB2CHRNA4CHRNA7GAAALPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004009599-A1 FIVE-MEMBERED HETEROAROMATIC OLEFINIC AZACYCLIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE AS INHIBITORS OF NCOTINIC CHOLINERGIC RECEPTORS TARGACEPT, INC. (US) 2004-01-29 WO disclosed