SCHEMBL3858481

SCHEMBL3858481

NC(O)CCc1cccc(C#CCCO)c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 1/20 0.43
HRH3 Q9Y5N1 7/20 0.37
CYP2D6 P10635 1/20 0.37
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
FFAR1 O14842 1/20 0.35
EGFR P00533 1/20 0.34
BACE1 P56817 1/20 0.33
PTPRC P08575 1/20 0.33
PTPRG P23470 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL3865719 0.92 HTR2C (0.42) ASIC3HRH3CYP2D6HTR2CHTR2B
SCHEMBL3868238 0.91 HTR2C (0.46) ASIC3HRH3CYP2D6HTR2CHTR2B
SCHEMBL3869907 0.88 FFAR1 (0.37) HRH3CYP2D6FFAR1EGFR
SCHEMBL3864024 0.83 TAAR1 (0.36) HRH3CYP2D6FFAR1
SCHEMBL236614 0.79 ASIC3 (0.45) ASIC3HRH3CYP2D6HTR2CHTR2B
SCHEMBL12488285 0.77 MMP12 (0.46) HRH3HTR2BFFAR1
SCHEMBL3859047 0.73 MAP3K14 (0.39) L3MBTL1
SCHEMBL232937 0.72 HTR2C (0.47) ASIC3HRH3HTR2CHTR2BFFAR1
SCHEMBL2151068 0.72 CYP2D6 (0.32) HRH3CYP2D6FFAR1
SCHEMBL3860771 0.72 HTT (0.39) L3MBTL1

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-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-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