SCHEMBL3843294

SCHEMBL3843294

C#CC(O)(C(C)C)C(C)Cc1cccc(OCCN)c1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.39
AKT1 P31749 2/20 0.36
GGPS1 O95749 1/20 0.36
ACHE P22303 3/20 0.35
MAPK1 P28482 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
LTA4H P09960 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34

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
SCHEMBL3836970 0.81 GGPS1 (0.42) TAAR1AKT1GGPS1MAPK1L3MBTL1
SCHEMBL3840901 0.79 HTR6 (0.34) TAAR1MAOA
SCHEMBL3837370 0.77 TAAR1 (0.41) TAAR1AKT1ACHEMAPK1L3MBTL1
SCHEMBL3228373 0.76 TAAR1 (0.51) TAAR1AKT1MAPK1L3MBTL1TSHR
SCHEMBL609886 0.74 TAAR1 (0.44) TAAR1GGPS1ACHEMAPK1L3MBTL1
SCHEMBL235966 0.73 TAAR1 (0.42) TAAR1LTA4H
SCHEMBL3862238 0.72 TAAR1 (0.40) TAAR1GGPS1ACHE
SCHEMBL3841016 0.71 TRPA1 (0.53) TAAR1AKT1GGPS1MAPK1L3MBTL1
SCHEMBL14191952 0.69 TAAR1 (0.50) TAAR1MAPK1L3MBTL1TSHR
SCHEMBL612001 0.69 TAAR1 (0.47) TAAR1GGPS1ACHELTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2111223-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS Acucela, Inc. (US) 2009-10-28 EP disclosed
EP-2076122-A2 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS Acucela, Inc. (US) 2009-07-08 EP disclosed
WO-2009058216-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2009-05-07 WO disclosed
WO-2009005794-A2 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2009-01-08 WO disclosed