SCHEMBL4955835

SCHEMBL4955835

N#Cc1cc(NC(=O)C(=O)c2ccc(OCCN3CCOCC3)c3ccccc23)cc(N2CCCCC2)c1

nearest known ligand 0.92

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.92
SCARB1 Q8WTV0 5/20 0.49
DDR2 Q16832 1/20 0.49
CNR1 P21554 1/20 0.49
CNR2 P34972 1/20 0.49
NPC1 O15118 1/20 0.46

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
SCHEMBL4951826 0.99 MAPK14 (0.94) MAPK14SCARB1DDR2CNR1CNR2
SCHEMBL4949200 0.96 MAPK14 (1.00) MAPK14SCARB1DDR2CNR1CNR2
SCHEMBL14155367 0.88 MAPK14 (0.72) MAPK14SCARB1DDR2CNR1CNR2
SCHEMBL4959679 0.86 MAPK14 (0.71) MAPK14SCARB1DDR2CNR1CNR2
SCHEMBL4949375 0.84 MAPK14 (0.78) MAPK14SCARB1DDR2CNR1CNR2
SCHEMBL4948810 0.82 MAPK14 (0.75) MAPK14SCARB1DDR2CNR1CNR2
SCHEMBL4954759 0.78 MAPK14 (0.73) MAPK14SCARB1CNR1CNR2
SCHEMBL1600284 0.78 MAPK14 (0.87) MAPK14SCARB1
SCHEMBL1600465 0.77 MAPK14 (0.69) MAPK14SCARB1CNR1CNR2
SCHEMBL1599555 0.77 MAPK14 (0.74) MAPK14SCARB1CNR1CNR2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008089034-A2 CYTOKINE INHIBITORS KEMIA, INC. (US) 2008-07-24 WO disclosed