SCHEMBL790391

SCHEMBL790391

CCS(=O)(=O)c1ccc(N[C@@H]2CNCCC2N2CCCC2=O)c(F)c1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.33
GAA P10253 2/20 0.32
KIF11 P52732 1/20 0.32
F10 P00742 1/20 0.32
CCNT1 O60563 1/20 0.31
CCNK O75909 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
CDK9 P50750 1/20 0.31
CDK12 Q9NYV4 1/20 0.31
GPR119 Q8TDV5 1/20 0.31
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30

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
SCHEMBL789216 0.91 SLC6A9 (0.34) BRD4CDK2GPR119
SCHEMBL2597109 0.87 SLC6A9 (0.37) BRD4F10CDK2GPR119
SCHEMBL789053 0.81 SCN9A (0.32)
SCHEMBL2597088 0.80 F10 (0.31) F10
SCHEMBL789299 0.80 DPP4 (0.30)
Hydrochloric Acid SCHEMBL14917661 0.80 BRD4 (0.35) BRD4GPR119HTR2CHTR2B
SCHEMBL789678 0.77 SCN9A (0.33) F10CDK9
SCHEMBL15105353 0.72 FPR2 (0.39) BRD4GAAKIF11F10GPR119
SCHEMBL790390 0.72 FPR2 (0.39) BRD4GAAKIF11F10GPR119
SCHEMBL789192 0.70 GPR119 (0.40) BRD4GPR119HTR2C

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
EP-2616074-A1 PIPERIDINYL-SUBSTITUTED LACTAMS AS GPR119 MODULATORS Array Biopharma, Inc. (US) 2013-07-24 EP disclosed
WO-2012037393-A1 PIPERIDINYL-SUBSTITUTED LACTAMS AS GPR119 MODULATORS ARRAY BIOPHARMA INC. (US) 2012-03-22 WO disclosed