SCHEMBL2279505

SCHEMBL2279505

COC(=O)[C@H]1CC[C@H](N2Cc3ccc(-c4ccc(Nc5ccc(C(F)(F)F)cc5)cc4)cc3C2=O)CC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 5/20 0.39
SCN5A Q14524 5/20 0.39
SCN9A Q15858 5/20 0.39
MCHR1 Q99705 1/20 0.37
SYK P43405 1/20 0.36
APOB P04114 3/20 0.36
MTTP P55157 3/20 0.36
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TYK2 P29597 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 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
SCHEMBL2196468 0.90 MCHR1 (0.39) SCN1ASCN5ASCN9AMCHR1BRD4
SCHEMBL2196467 0.90 MCHR1 (0.39) SCN1ASCN5ASCN9AMCHR1BRD4
SCHEMBL2198200 0.89 MCHR1 (0.36) SCN1ASCN5ASCN9AMCHR1APOB
SCHEMBL2279512 0.83 MCHR1 (0.39) SCN1ASCN5ASCN9AMCHR1APOB
SCHEMBL13719272 0.82 CRBN (0.39)
SCHEMBL2180267 0.81 MEN1 (0.42) MCHR1JAK2JAK1
SCHEMBL2179791 0.81 JAK2 (0.44) MCHR1JAK2JAK1
SCHEMBL2179789 0.81 JAK2 (0.44) MCHR1JAK2JAK1
SCHEMBL2197280 0.81 DGAT1 (0.41) SCN1ASCN5ASCN9AMCHR1BRD4
SCHEMBL2197775 0.77 BRD4 (0.35) BRD4CREBBPMAPTJAK2

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