SCHEMBL2196065

SCHEMBL2196065

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

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.38
ALPI P09923 1/20 0.38
ALPG P10696 1/20 0.38
KMT2A Q03164 1/20 0.38
BRD4 O60885 2/20 0.37
CREBBP Q92793 2/20 0.37
CYP2C9 P11712 1/20 0.35
ADRA1A P35348 1/20 0.35
HRH1 P35367 1/20 0.35
PRKDC P78527 1/20 0.35
MAPK1 P28482 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
MGLL Q99685 1/20 0.35
DGAT1 O75907 1/20 0.35
MAPK14 Q16539 1/20 0.34

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
SCHEMBL2197775 0.92 BRD4 (0.35) KMT2ABRD4CREBBPCYP2C9ADRA1A
SCHEMBL2197233 0.91 DGAT1 (0.42) ALPLALPIALPGKMT2ABRD4
SCHEMBL2181271 0.88 ABCB1 (0.43) KMT2A
SCHEMBL2198200 0.85 MCHR1 (0.36) BRD4CREBBP
SCHEMBL2180155 0.83 HRH3 (0.40) BRD4
SCHEMBL2197237 0.82 MAPK1 (0.34) ALPLALPIALPGKMT2ACYP2C9
SCHEMBL2197874 0.82 BRD4 (0.38) BRD4CREBBPCYP2C9ADRA1AHRH1
SCHEMBL2202780 0.82 CRBN (0.37) CYP2C9ADRA1AHRH1
SCHEMBL2201496 0.82 MGLL (0.40) ALPLALPIALPGKMT2ABRD4
SCHEMBL13719516 0.81 PTPN1 (0.41) KMT2ACREBBP

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