SCHEMBL2303548

SCHEMBL2303548

C[C@@]1(COc2cncc(-c3cc(CCCO)no3)c2)CCCN1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 14/20 0.62
CHRNA4 P43681 14/20 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
SCHEMBL7931229 0.77 CHRNB2 (1.00) CHRNB2CHRNA4
SCHEMBL7407387 0.72 CHRNB2 (0.43) CHRNB2CHRNA4
SCHEMBL2303552 0.71 CHRNB2 (0.89) CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL7411065 0.71 CHRNB2 (0.42) CHRNB2CHRNA4
SCHEMBL7581749 0.71 CHRNB2 (0.52) CHRNB2CHRNA4
SCHEMBL7929522 0.70 CHRNB2 (1.00) CHRNB2CHRNA4
SCHEMBL7415822 0.69 MEN1 (0.40) CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL7411005 0.67 CHRNB2 (0.36) CHRNB2CHRNA4
SCHEMBL7412587 0.67 CHRNB2 (0.42) CHRNB2CHRNA4
SCHEMBL2187060 0.66 CHRNB2 (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2342192-A2 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF Psychogenics Inc. (US) 2011-07-13 EP disclosed
WO-2010045212-A2 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF PSYCHOGENICS, INCSTATUTS (US) 2010-04-22 WO disclosed