SCHEMBL3870041

SCHEMBL3870041

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

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.31
GRM2 Q14416 1/20 0.30
GRM3 Q14832 1/20 0.30

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
SCHEMBL3865804 0.84 REN (0.35) REN
SCHEMBL611418 0.83 REN (0.34) RENGRM2GRM3
SCHEMBL3859919 0.82 REN (0.31) RENGRM2GRM3
SCHEMBL3843317 0.82 KIF11 (0.37)
SCHEMBL10237699 0.81 REN (0.35) RENGRM2GRM3
SCHEMBL613098 0.79 REN (0.35) RENGRM2GRM3
SCHEMBL3836935 0.78 NOS1 (0.34)
SCHEMBL232923 0.74 CYP2D6 (0.33)
SCHEMBL3862238 0.74 TAAR1 (0.40)
SCHEMBL18097919 0.73 CYP2D6 (0.31)

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 2 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 disclosed
WO-2009005794-A2 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2009-01-08 WO disclosed