SCHEMBL28849131

SCHEMBL28849131

CCCCCC(=O)N1CCC(NC(=O)NC2CC2)CC1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 8/20 0.62
GNAI3 P08754 9/20 0.59
GNAI1 P63096 9/20 0.59
GNAO1 P09471 8/20 0.59
EPHX1 P07099 4/20 0.58
L3MBTL1 Q9Y468 2/20 0.57
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
TDP1 Q9NUW8 1/20 0.56

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
SCHEMBL27799378 0.88 EPHX2 (0.60) EPHX2GNAI3GNAI1GNAO1EPHX1
SCHEMBL11928134 0.88 GNAI3 (0.59) EPHX2GNAI3GNAI1GNAO1EPHX1
SCHEMBL15759096 0.83 GNAI3 (0.53) EPHX2GNAI3GNAI1GNAO1EPHX1
SCHEMBL24330250 0.81 EPHX2 (0.55) EPHX2GNAI3GNAI1GNAO1EPHX1
SCHEMBL27778381 0.80 EPHX2 (0.86) EPHX2EPHX1
SCHEMBL25122003 0.79 L3MBTL1 (0.51) EPHX2GNAI3GNAI1GNAO1EPHX1
SCHEMBL25122006 0.78 GNAI3 (0.52) EPHX2GNAI3GNAI1GNAO1L3MBTL1
SCHEMBL25853853 0.78 GNAI3 (0.52) EPHX2GNAI3GNAI1GNAO1L3MBTL1
SCHEMBL7490420 0.78 GNAI3 (0.68) GNAI3GNAI1GNAO1L3MBTL1MEN1
SCHEMBL25934640 0.78 NPC1 (0.79) GNAI3GNAI1GNAO1L3MBTL1MEN1

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
CN-107098871-A Phenylpropionyl amine derivant, its preparation method and its in application pharmaceutically 江苏恒瑞医药股份有限公司 2017-08-29 CN disclosed