SCHEMBL3840901

SCHEMBL3840901

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

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.34
TAAR1 Q96RJ0 4/20 0.33
DRD2 P14416 1/20 0.33
DRD1 P21728 1/20 0.33
NOS1 P29475 2/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
REN P00797 1/20 0.32
GHSR Q92847 1/20 0.32
MAOA P21397 1/20 0.32
CYP2A6 P11509 1/20 0.31
PNMT P11086 1/20 0.31
SLC7A5 Q01650 1/20 0.31

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
SCHEMBL3843593 0.86 HTR6 (0.35) HTR6TAAR1DRD2DRD1NOS1
SCHEMBL3843294 0.79 TAAR1 (0.39) TAAR1MAOA
SCHEMBL3837385 0.79 REN (0.35) HTR6TAAR1DRD2DRD1NOS1
SCHEMBL3841819 0.77 REN (0.38) HTR6TAAR1DRD2DRD1NOS1
SCHEMBL3840532 0.75 CYP2A6 (0.36) HTR6TAAR1DRD2DRD1NOS1
SCHEMBL3173093 0.74 TAAR1 (0.42) HTR6TAAR1DRD2DRD1NOS1
SCHEMBL4073253 0.74 TAAR1 (0.44) HTR6TAAR1DRD2DRD1MAOA
SCHEMBL234116 0.74 PTGES (0.41) HTR6TAAR1DRD2DRD1MAOA
SCHEMBL610502 0.74 TAAR1 (0.39) HTR6TAAR1DRD2DRD1NOS1
SCHEMBL611314 0.72 TAAR1 (0.38) HTR6TAAR1DRD2DRD1NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2076122-A2 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS Acucela, Inc. (US) 2009-07-08 EP claimed
WO-2009005794-A2 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2009-01-08 WO claimed
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