SCHEMBL4760955

SCHEMBL4760955

CC(=O)NCC(C)c1ccc([AsH2])cc1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.52
NPC1 O15118 2/20 0.43
MTNR1A P48039 10/20 0.42
MTNR1B P49286 10/20 0.42
RAB9A P51151 1/20 0.42
TAAR1 Q96RJ0 1/20 0.39
TSHR P16473 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL9510562 0.84 ACACB (0.54) ACACBNPC1MTNR1AMTNR1BRAB9A
SCHEMBL4442263 0.82 ACACB (0.52) ACACBNPC1MTNR1AMTNR1BRAB9A
SCHEMBL11322693 0.82 ACACB (0.52) ACACBNPC1MTNR1AMTNR1BRAB9A
SCHEMBL8384291 0.81 MTNR1A (0.60) ACACBNPC1MTNR1AMTNR1BRAB9A
SCHEMBL8384245 0.81 MTNR1A (0.60) ACACBNPC1MTNR1AMTNR1BRAB9A
SCHEMBL2091303 0.81 MTNR1A (0.60) ACACBNPC1MTNR1AMTNR1BRAB9A
SCHEMBL9512709 0.79 MTNR1A (0.67) ACACBNPC1MTNR1AMTNR1BRAB9A
SCHEMBL16130561 0.79 ACACB (0.49) ACACBNPC1MTNR1AMTNR1BRAB9A
SCHEMBL28904956 0.77 MTNR1A (0.55) ACACBNPC1MTNR1AMTNR1BRAB9A
SCHEMBL9765333 0.74 ALDH1A1 (0.66) ACACBMTNR1AMTNR1BRAB9ATSHR

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-1996567-A2 NOVEL ACETYL-COA CARBOXYLASE (ACC) INHIBITORS AND THEIR USE IN DIABETES, OBESITY AND METABOLIC SYNDROME ABBOTT LABORATORIES (US) 2008-12-03 EP disclosed
WO-2007095601-A2 NOVEL ACETYL-COA CARBOXYLASE (ACC) INHIBITORS AND THEIR USE IN DIABETES, OBESITY AND METABOLIC SYNDROME ABBOTT LABORATORIES (US) 2007-08-23 WO disclosed