SCHEMBL4831047

SCHEMBL4831047

CCN(C[C@H]1CC[C@H](C(=O)O)CC1)c1cc2c(cc1CN(Cc1cc(C#N)cc(C(F)(F)F)c1)c1nnn(C)n1)CCCC2

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CETP P11597 18/20 0.43
TAS2R14 Q9NYV8 1/20 0.32

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
Hydrochloric Acid SCHEMBL1904689 0.99 CETP (0.42) CETPTAS2R14
SCHEMBL4830846 0.99 CETP (0.43) CETP
Hydrochloric Acid SCHEMBL1899526 0.98 CETP (0.42) CETP
SCHEMBL4831003 0.93 CETP (0.48) CETP
Bicarbonate SCHEMBL5195992 0.93 CETP (0.40) CETP
Hydrochloric Acid SCHEMBL1905409 0.93 CETP (0.47) CETP
SCHEMBL1897996 0.92 CETP (0.39) CETP
SCHEMBL4824057 0.92 CETP (0.48) CETP
Bicarbonate SCHEMBL5182227 0.91 CETP (0.40) CETP
SCHEMBL13141230 0.91 CETP (0.35) CETPTAS2R14

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
US-7332514-B2 Dibenzylamine compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2008-02-19 US claimed
US-7332514-B2 Dibenzylamine compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2008-02-19 US disclosed