SCHEMBL2201496

SCHEMBL2201496

O=C1c2cc(-c3ccc(Nc4cccc(Cl)c4)cc3)ccc2CN1[C@H]1CC[C@H](C(=O)O)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.40
DGAT1 O75907 2/20 0.38
MAPK14 Q16539 1/20 0.38
BRD4 O60885 1/20 0.37
CREBBP Q92793 1/20 0.37
KDR P35968 1/20 0.37
AXL P30530 1/20 0.37
CYP2C9 P11712 1/20 0.37
ADRA1A P35348 1/20 0.37
HRH1 P35367 1/20 0.37
MAPK1 P28482 2/20 0.36
MAP3K5 Q99683 1/20 0.36
KMT2A Q03164 2/20 0.36
ALPL P05186 1/20 0.36
ALPI P09923 1/20 0.36
ALPG P10696 1/20 0.36
BRAF P15056 1/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL2197846 0.91 JAK2 (0.38) BRD4CREBBPKDRAXLCYP2C9
SCHEMBL2197233 0.89 DGAT1 (0.42) MGLLDGAT1MAPK14BRD4CREBBP
SCHEMBL2177538 0.86 ACHE (0.45) KMT2ABRAFMEN1MAPT
SCHEMBL2181173 0.86 ACHE (0.45) KMT2ABRAFMEN1MAPT
SCHEMBL2201498 0.83 AXL (0.36) KDRAXLCYP2C9ADRA1AHRH1
SCHEMBL2196467 0.83 MCHR1 (0.39) DGAT1BRD4CREBBPKDR
SCHEMBL2196468 0.83 MCHR1 (0.39) DGAT1BRD4CREBBPKDR
SCHEMBL2196065 0.82 ALPL (0.38) MGLLDGAT1MAPK14BRD4CREBBP
SCHEMBL2178717 0.81 SLC2A1 (0.43) BRD4
SCHEMBL2180602 0.81 SLC2A1 (0.43) BRD4

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