Sugi Predict

Sugi Predict / Compounds / SCHEMBL4830749

SCHEMBL4830749

SCHEMBL4830749

CCN(C[C@H]1CC[C@H](C(=O)O)CC1)c1cc2c(cc1CN(Cc1cc(C#N)cc(C(F)(F)F)c1)c1cc(C)no1)CCC2

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TAS2R14 Q9NYV8 1/20 0.32
▸ CETP P11597 3/20 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 SCHEMBL1904525 0.99 TAS2R14 (0.32) TAS2R14CETP
SCHEMBL4828916 0.99 TAS2R14 (0.33) TAS2R14CETP
Hydrochloric Acid SCHEMBL1901294 0.98 TAS2R14 (0.33) TAS2R14CETP
SCHEMBL4827352 0.93 CETP (0.35) CETP
Bicarbonate SCHEMBL5181246 0.93 CETP (0.32) CETP
Hydrochloric Acid SCHEMBL1903541 0.92 CETP (0.35) CETP
SCHEMBL4825077 0.92 CETP (0.35) TAS2R14CETP
Bicarbonate SCHEMBL5196480 0.91 CETP (0.32) CETP
Hydrochloric Acid SCHEMBL1900583 0.91 CETP (0.35) CETP
SCHEMBL13140621 0.90 TAS2R14 (0.35) TAS2R14

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