SCHEMBL28049025

SCHEMBL28049025

CC(C)(C)NC(=O)OCCC(O)c1cccc(N)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 4/20 0.44
ADRB2 P07550 3/20 0.44
ADRB1 P08588 3/20 0.44
CPN1 P15169 1/20 0.39
CPB2 Q96IY4 1/20 0.39
POLB P06746 1/20 0.38
TACR1 P25103 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.35
AOC3 Q16853 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
SCHEMBL2206877 0.87 HIF1A (0.47) ADRB3ADRB2ADRB1POLBRAB9A
SCHEMBL27785071 0.86 NPC1 (0.39) POLBNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL28682475 0.86 POLB (0.40) ADRB3ADRB2ADRB1POLBNPC1
SCHEMBL28673428 0.85 POLB (0.50) ADRB3ADRB2ADRB1POLBNPC1
SCHEMBL611538 0.83 NPC1 (0.41) ADRB3ADRB2ADRB1POLBNPC1
SCHEMBL15809658 0.79 POLB (0.55) ADRB3ADRB2ADRB1POLBNPC1
SCHEMBL15809660 0.79 POLB (0.55) ADRB3ADRB2ADRB1POLBNPC1
SCHEMBL27953236 0.77 MAPT (0.43) POLBL3MBTL1MAPTAOC3
SCHEMBL27787225 0.77 MAOA (0.42) ADRB3ADRB2ADRB1TACR1L3MBTL1
SCHEMBL27995424 0.77 ADRB2 (0.41) ADRB3ADRB2ADRB1CPN1CPB2

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-105209428-A Substituted 3-phenylpropylamine derivatives for the treatment of ophthalmic diseases and disorders ACUCELA INC 2015-12-30 CN disclosed