Sugi Predict

Sugi Predict / Compounds / SCHEMBL1242418

SCHEMBL1242418

SCHEMBL1242418

CC(C)(C)N(C(=O)O)[C@H]1CN(Cc2ccccc2)CC[C@@H]1c1cc(F)c(F)cc1F

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 6/20 0.45
▸ DPP7 Q9UHL4 5/20 0.45
▸ DPP8 Q6V1X1 3/20 0.45
▸ DPP9 Q86TI2 3/20 0.45
▸ CHRM4 P08173 2/20 0.42
▸ ACHE P22303 5/20 0.42
▸ SIGMAR1 Q99720 2/20 0.42
▸ OPRM1 P35372 1/20 0.40
▸ BCHE P06276 1/20 0.40

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
SCHEMBL5118281 1.00 DPP4 (0.45) DPP4DPP7DPP8DPP9CHRM4
SCHEMBL15012080 0.78 BCHE (0.48) ACHEOPRM1BCHE
SCHEMBL15012081 0.78 BCHE (0.48) ACHEOPRM1BCHE
SCHEMBL15012084 0.78 BCHE (0.48) ACHEOPRM1BCHE
SCHEMBL2180125 0.78 BCHE (0.48) ACHEOPRM1BCHE
SCHEMBL15012085 0.78 BCHE (0.48) ACHEOPRM1BCHE
SCHEMBL19180709 0.77 EED (0.40) DPP4
SCHEMBL1307812 0.77 OPRM1 (0.55) CHRM4ACHESIGMAR1OPRM1BCHE
SCHEMBL15011942 0.75 BCHE (0.46) ACHEOPRM1BCHE
SCHEMBL15012006 0.75 BCHE (0.46) ACHEOPRM1BCHE

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-7884104-B2 Such as (3R,4R)-1-Pyrimidin-4-yl-4-(2,4,5-trifluorophenyl)piperidin-3-amine bis-trifluoroacetic acid salt MERCK SHARP & DOHME CORP. (US) 2011-02-08 — — US disclosed