SCHEMBL2197775

SCHEMBL2197775

COC(=O)C1CCCC(N2Cc3ccc(-c4ccc(Nc5ccc(Cl)cc5)cc4)cc3C2=O)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.35
CREBBP Q92793 2/20 0.35
DPP4 P27487 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
CYP2C9 P11712 1/20 0.34
ADRA1A P35348 1/20 0.34
HRH1 P35367 1/20 0.34
KDM1A O60341 1/20 0.34
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
JAK2 O60674 1/20 0.33
NTRK1 P04629 1/20 0.33
MET P08581 1/20 0.33
FGFR1 P11362 1/20 0.33
PRKACA P17612 1/20 0.33
KDR P35968 1/20 0.33
MAP2K2 P36507 1/20 0.33
FLT3 P36888 1/20 0.33

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
SCHEMBL2196065 0.92 ALPL (0.38) BRD4CREBBPCYP2C9ADRA1AHRH1
SCHEMBL2180155 0.91 HRH3 (0.40) BRD4CXCR6
SCHEMBL2197874 0.90 BRD4 (0.38) BRD4CREBBPCYP2C9ADRA1AHRH1
SCHEMBL2198200 0.89 MCHR1 (0.36) BRD4CREBBPDPP4DPP8DPP9
SCHEMBL2202780 0.86 CRBN (0.37) DPP4DPP8DPP9DPP7CYP2C9
SCHEMBL2181271 0.85 ABCB1 (0.43) RAB9ACXCR6KMT2A
SCHEMBL2195082 0.83 MAPT (0.43) MAPTKMT2A
SCHEMBL13719516 0.82 PTPN1 (0.41) CREBBPKDM1ACRBNMAPTKMT2A
SCHEMBL2197233 0.82 DGAT1 (0.42) BRD4CREBBPCYP2C9ADRA1AHRH1
SCHEMBL2197877 0.81 JAK2 (0.34) CYP2C9ADRA1AHRH1JAK2NTRK1

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-2519500-A1 INHIBITORS OF DIACYLGLYCEROL ACYL TRANSFERASE Piramal Healthcare Ltd. (IN) 2012-11-07 EP disclosed
WO-2011080718-A1 INHIBITORS OF DIACYLGLYCEROL ACYL TRANSFERASE PIRAMAL LIFE SCIENCES LIMITED (IN) 2011-07-07 WO disclosed