SCHEMBL14979585

SCHEMBL14979585

CC(C)C(O)CCc1cccc(O[C@@H](C)CN)c1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 3/20 0.42
▸ ACHE P22303 4/20 0.41
▸ AOC3 Q16853 1/20 0.35
▸ MTNR1A P48039 4/20 0.35
▸ MTNR1B P49286 4/20 0.35
▸ CYSLTR2 Q9NS75 1/20 0.35
▸ CYSLTR1 Q9Y271 1/20 0.35
▸ METAP2 P50579 1/20 0.35
▸ METAP1 P53582 1/20 0.35

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
SCHEMBL10257696 0.87 ACACB (0.40) TAAR1ACHEMTNR1AMTNR1BCYSLTR1
SCHEMBL22047298 0.82 TAAR1 (0.49) TAAR1ACHEAOC3MTNR1AMTNR1B
SCHEMBL5477927 0.81 TAAR1 (0.56) TAAR1AOC3MTNR1AMTNR1B
SCHEMBL611119 0.81 TAAR1 (0.45) TAAR1ACHE
SCHEMBL10235916 0.76 CYP2D6 (0.49) —
SCHEMBL6943329 0.76 CYP4F2 (0.61) CYSLTR2CYSLTR1
SCHEMBL612474 0.75 TAAR1 (0.40) TAAR1
SCHEMBL11167304 0.74 NOS1 (0.43) TAAR1MTNR1AMTNR1B
SCHEMBL611495 0.73 MAPK14 (0.38) TAAR1ACHE
SCHEMBL611494 0.73 MAPK14 (0.38) TAAR1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8450527-B2 Amine derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2013-05-28 — — US disclosed
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