SCHEMBL11511351

SCHEMBL11511351

Cc1ccc(Oc2ccc(C3CCCN3C)cc2)cc1

nearest known ligand 0.81

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 1/20 0.57
▸ CHRNB4 P30926 1/20 0.57
▸ CHRNA3 P32297 1/20 0.57
▸ CHRNA7 P36544 1/20 0.57
▸ CHRNA4 P43681 1/20 0.57

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
SCHEMBL21399970 0.90 CHRNB2 (0.69) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL19865655 0.90 CHRNB2 (0.69) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL13162081 0.90 CHRNB2 (0.69) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL11509845 0.89 CHRNB2 (0.74) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL11511652 0.87 CHRNB2 (0.57) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL11512065 0.86 CHRNB2 (0.56) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL13452380 0.84 CHRNB2 (0.61) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL18089524 0.84 CHRNB2 (0.61) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL12246912 0.83 CHRNB4 (0.55) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL12090379 0.81 CHRNB2 (0.62) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4

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-4161529-A Phenoxy phenyl pyrrolidine compounds, compositions and methods of use SCIENCE UNION ET CIE, SOCIETE FRANCAISE DE RECHERCHE MEDICALE (FR) 1979-07-17 — — US disclosed
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