SCHEMBL2198200

SCHEMBL2198200

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

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.36
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
SCN1A P35498 3/20 0.35
SCN5A Q14524 3/20 0.35
SCN9A Q15858 3/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
APOB P04114 3/20 0.34
MTTP P55157 3/20 0.34
FPR2 P25090 2/20 0.33
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
DPP7 Q9UHL4 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
SCHEMBL2180267 0.92 MEN1 (0.42) MCHR1DPP4
SCHEMBL2197280 0.90 DGAT1 (0.41) MCHR1BRD4CREBBPSCN1ASCN5A
SCHEMBL2279505 0.89 SCN1A (0.39) MCHR1BRD4CREBBPSCN1ASCN5A
SCHEMBL2197775 0.89 BRD4 (0.35) BRD4CREBBPDPP4DPP8DPP9
SCHEMBL2196065 0.85 ALPL (0.38) BRD4CREBBP
SCHEMBL2202780 0.84 CRBN (0.37) DPP4DPP8DPP9DPP7
SCHEMBL13718607 0.82 DGAT1 (0.46) MCHR1DPP4
SCHEMBL13719516 0.82 PTPN1 (0.41) MCHR1CREBBP
SCHEMBL2180155 0.81 HRH3 (0.40) MCHR1BRD4
SCHEMBL2196468 0.81 MCHR1 (0.39) MCHR1BRD4CREBBPSCN1ASCN5A

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