SCHEMBL2197233

SCHEMBL2197233

O=C(O)C1CCCC(N2Cc3ccc(-c4ccc(Nc5cccc(Cl)c5)cc4)cc3C2=O)C1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.42
BRD4 O60885 1/20 0.40
CREBBP Q92793 1/20 0.40
ALPL P05186 1/20 0.39
ALPI P09923 1/20 0.39
ALPG P10696 1/20 0.39
KMT2A Q03164 1/20 0.39
MGLL Q99685 1/20 0.38
HRH1 P35367 2/20 0.37
CYP2C9 P11712 1/20 0.36
ADRA1A P35348 1/20 0.36
MAPK1 P28482 1/20 0.36
MAPK14 Q16539 1/20 0.36
EGFR P00533 1/20 0.35
KDR P35968 1/20 0.35
GRM5 P41594 1/20 0.35

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
SCHEMBL2197874 0.92 BRD4 (0.38) DGAT1BRD4CREBBPHRH1CYP2C9
SCHEMBL2196065 0.91 ALPL (0.38) DGAT1BRD4CREBBPALPLALPI
SCHEMBL2201496 0.89 MGLL (0.40) DGAT1BRD4CREBBPALPLALPI
SCHEMBL2179475 0.87 ACHE (0.43) DGAT1KMT2AGRM5
SCHEMBL2197280 0.84 DGAT1 (0.41) DGAT1BRD4CREBBPKMT2A
SCHEMBL2197237 0.83 MAPK1 (0.34) DGAT1ALPLALPIALPGKMT2A
SCHEMBL2181331 0.82 SLC2A1 (0.41) DGAT1
SCHEMBL2197775 0.82 BRD4 (0.35) BRD4CREBBPKMT2AHRH1CYP2C9
SCHEMBL13719434 0.80 KDM1A (0.44) DGAT1CREBBP
SCHEMBL2197846 0.80 JAK2 (0.38) BRD4CREBBPHRH1CYP2C9ADRA1A

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