SCHEMBL3843317

SCHEMBL3843317

C#CC(O)(CC)CCc1cccc(CCCN)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.37
HTR6 P50406 1/20 0.36
TAAR1 Q96RJ0 4/20 0.35
DRD2 P14416 1/20 0.35
DRD1 P21728 1/20 0.35
MAOA P21397 1/20 0.34
NOS1 P29475 2/20 0.34
ESR1 P03372 2/20 0.33
CYP19A1 P11511 2/20 0.33
ESR2 Q92731 2/20 0.33
LPL P06858 2/20 0.33
LIPG Q9Y5X9 2/20 0.33
CYP2A6 P11509 1/20 0.33
GHSR Q92847 1/20 0.33

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
SCHEMBL3870041 0.82 REN (0.31)
SCHEMBL3859919 0.81 REN (0.31)
SCHEMBL609566 0.81 KIF11 (0.41) KIF11HTR6TAAR1DRD2DRD1
SCHEMBL3862238 0.81 TAAR1 (0.40) TAAR1
SCHEMBL3836935 0.80 NOS1 (0.34) TAAR1DRD2DRD1NOS1
SCHEMBL10279730 0.78 KIF11 (0.39) KIF11HTR6TAAR1DRD2DRD1
SCHEMBL3865804 0.78 REN (0.35) TAAR1MAOACYP2A6
SCHEMBL609751 0.77 TAAR1 (0.42) KIF11HTR6TAAR1DRD2DRD1
SCHEMBL611389 0.77 KIF11 (0.40) KIF11HTR6TAAR1DRD2DRD1
SCHEMBL611295 0.75 KIF11 (0.39) KIF11HTR6TAAR1DRD2DRD1

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