SCHEMBL13867993

SCHEMBL13867993

Cc1cc(OC[C@@H]2CCCN2C(C)C)cc(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 5/20 0.45
CHRNA3 P32297 5/20 0.45
CHRNB1 P11230 3/20 0.45
CHRNB2 P17787 3/20 0.45
CHRNB3 Q05901 3/20 0.45
CHRNA4 P43681 1/20 0.42
CNR2 P34972 1/20 0.38
RBP4 P02753 1/20 0.36

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
SCHEMBL13867982 0.84 CHRNB4 (0.61) CHRNB4CHRNA3CHRNB1CHRNB2CHRNB3
SCHEMBL15037237 0.84 CHRNB4 (0.61) CHRNB4CHRNA3CHRNB1CHRNB2CHRNB3
SCHEMBL16729424 0.75 F2 (0.43) CHRNB4CHRNA3CHRNB1CHRNB2CHRNB3
SCHEMBL2603269 0.72 CHRM3 (0.51) CHRNB4CHRNA3CHRNB1CHRNB2CHRNB3
SCHEMBL15032896 0.72 CHRNB4 (0.65) CHRNB4CHRNA3CHRNB1CHRNB2CHRNB3
SCHEMBL25594625 0.72 CHRNB4 (0.65) CHRNB4CHRNA3CHRNB1CHRNB2CHRNB3
SCHEMBL450027 0.71 CHRNB4 (0.60) CHRNB4CHRNA3CHRNB1CHRNB2CHRNB3
SCHEMBL447049 0.71 CHRNB4 (0.60) CHRNB4CHRNA3CHRNB1CHRNB2CHRNB3
SCHEMBL447762 0.71 CHRNB4 (0.60) CHRNB4CHRNA3CHRNB1CHRNB2CHRNB3
SCHEMBL15945458 0.70 RBP4 (0.43) RBP4

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
US-7514564-B2 Substituted amine derivatives and methods of use AMGEN INC. (US) 2009-04-07 US disclosed
US-7514564-B2 Substituted amine derivatives and methods of use AMGEN INC. (US) 2009-04-07 US disclosed
EP-1562933-B1 SUBSTITUTED AMINE DERIVATIVES AND METHODS OF USE IN THE TREATMENT OF ANGIOGENESIS RELATED DISORDERS AMGEN INC (US) 2008-03-19 EP disclosed