SCHEMBL12433362

SCHEMBL12433362

CC(=O)NC[C@H]1Cc2ccc(CCc3ccc(OCC4CC4)cc3)cc2O1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACACB O00763 8/20 0.45
MCHR1 Q99705 4/20 0.41
MTNR1A P48039 3/20 0.40
ACACA Q13085 1/20 0.38
FFAR1 O14842 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
SCHEMBL1391021 0.80 ACACB (0.52) ACACBACACA
SCHEMBL1391850 0.80 ACACB (0.52) ACACBACACA
SCHEMBL1391157 0.80 ACACB (0.52) ACACBACACA
SCHEMBL1391411 0.80 ACACB (0.52) ACACBACACA
SCHEMBL7921645 0.78 BRD4 (0.50) ACACBMCHR1FFAR1
SCHEMBL7915020 0.73 ACACB (0.42) ACACBMCHR1ACACA
SCHEMBL12432861 0.73 ACACB (0.42) ACACBMCHR1ACACA
SCHEMBL1390761 0.70 ACACA (0.55) ACACBACACA
SCHEMBL1390554 0.69 ACACB (0.45) ACACBMTNR1AACACAFFAR1
SCHEMBL17753764 0.69 MTNR1A (0.65) MTNR1A

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
EP-2351743-A1 BICYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-08-03 EP disclosed