SCHEMBL6863253

SCHEMBL6863253

Cc1cc(C)cc(NC(=O)NCC2(O)CCN(C(=O)[C@H]3CCCCN3)CC2)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
LMNA P02545 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
CCR4 P51679 4/20 0.36
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
POLB P06746 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
SCHEMBL6863176 0.91 S1PR2 (0.40) CCR3MAPT
SCHEMBL6863244 0.85 S1PR2 (0.40) CCR3MAPT
SCHEMBL6863132 0.85 S1PR2 (0.40) CCR3MAPT
SCHEMBL6863172 0.81 S1PR2 (0.37) CCR3CCR4
SCHEMBL6863225 0.80 EPHX2 (0.47) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL6863181 0.79 S1PR2 (0.41) CCR4
SCHEMBL6863109 0.73 S1PR2 (0.41) LMNACCR4
SCHEMBL6863044 0.73 S1PR2 (0.41) LMNACCR4
SCHEMBL12005722 0.73 S1PR2 (0.41) LMNACCR4
SCHEMBL6863248 0.72 CXCR3 (0.51) MEN1KMT2A

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-2011032291-A1 SELECTIVE CALCIUM CHANNEL MODULATORS ZALICUS PHARMACEUTICALS LTD . (CA) 2011-03-24 WO disclosed