SCHEMBL2201498

SCHEMBL2201498

O=COC1CCC(N2Cc3ccc(-c4ccc(Nc5cccc(Cl)c5)cc4)cc3C2=O)CC1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.36
MAPK1 P28482 9/20 0.34
MAPK3 P27361 2/20 0.33
TDP2 O95551 1/20 0.33
CYP2C9 P11712 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
CRBN Q96SW2 1/20 0.32
KDR P35968 1/20 0.32
EGFR P00533 1/20 0.32

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
SCHEMBL2197850 0.92 JAK2 (0.36) AXLMAPK1TDP2CYP2C9ADRA1A
SCHEMBL2197237 0.90 MAPK1 (0.34) MAPK1MAPK3CYP2C9ADRA1AHRH1
SCHEMBL2177542 0.85 ABCB1 (0.42)
SCHEMBL2201496 0.83 MGLL (0.40) AXLMAPK1CYP2C9ADRA1AHRH1
SCHEMBL2197877 0.81 JAK2 (0.34) AXLMAPK1CYP2C9ADRA1AHRH1
SCHEMBL2180605 0.80 SLC2A1 (0.41)
SCHEMBL2197233 0.77 DGAT1 (0.42) MAPK1CYP2C9ADRA1AHRH1KDR
SCHEMBL2196065 0.77 ALPL (0.38) MAPK1CYP2C9ADRA1AHRH1
SCHEMBL2179479 0.76 ABCB1 (0.41)
SCHEMBL2198202 0.76 JAK2 (0.36) MAPK1TDP2CRBNKDR

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