SCHEMBL7690304

SCHEMBL7690304

COc1ccc(N2C[C@H]3C[C@@H]2CN3)nn1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 7/20 0.64
CHRNA4 P43681 7/20 0.64
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46

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
SCHEMBL7690443 1.00 CHRNB2 (0.64) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL18291307 0.82 CHRNB2 (0.59) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL7690311 0.80 CHRNA4 (0.45) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL6625406 0.79 CHRNB2 (0.61) CHRNB2CHRNA4
SCHEMBL2963520 0.79 CHRNB2 (0.61) CHRNB2CHRNA4
SCHEMBL5034127 0.79 CHRNB2 (0.61) CHRNB2CHRNA4
SCHEMBL18291726 0.79 CHRNB2 (0.59) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL20038439 0.79 CHRNB2 (0.48) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL20249500 0.79 HSD11B1 (0.46) CHRNB2CHRNA4CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL7250231 0.78 CHRNB2 (0.59) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6440970-B1 ACTIVATING NICOTINIC CHOLERGINIC RECEPTORS TARGACEPT, INC. 2002-08-27 US disclosed