SCHEMBL2897361

SCHEMBL2897361

c1cnc(N2C[C@@H]3C[C@H]2CN3)nc1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 8/20 0.55
CHRNA4 P43681 8/20 0.55
CHRNB4 P30926 1/20 0.55
CHRNA3 P32297 1/20 0.55

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
SCHEMBL1131096 1.00 CHRNB2 (0.55) CHRNB2CHRNA4CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL2897861 0.98 CHRNB2 (0.54) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL31108117 0.83 CHRNB2 (0.52) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL14452845 0.83 CHRNB2 (0.52) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL9765975 0.83 CHRNB2 (0.58) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL9766085 0.83 CHRNB2 (0.58) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL24467692 0.82 CHRNB2 (0.51) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL17076684 0.81 CHRNB2 (0.57) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL2227430 0.80 CHRNB2 (0.54) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL2227813 0.80 CHRNB2 (0.54) CHRNB2CHRNA4CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2154135-B1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION MITSUBISHI TANABE PHARMA CORP (JP) 2013-02-27 EP disclosed
EP-2532658-A1 Therapeutic agent for cerebral infarction Mitsubishi Tanabe Pharma Corporation (JP) 2012-12-12 EP disclosed
EP-2154135-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION Mitsubishi Tanabe Pharma Corporation (JP) 2010-02-17 EP disclosed