SCHEMBL1708151

SCHEMBL1708151

CCOc1nc2ccc(OC)cc2n1-c1cccc(CNc2ccc3c(c2)OC[C@H]3CC(=O)OC)c1C

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 10/20 0.40
MTNR1A P48039 6/20 0.38
MTNR1B P49286 6/20 0.38
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
NPC1 O15118 1/20 0.36
PPARD Q03181 3/20 0.35
PPARG P37231 3/20 0.35
PPARA Q07869 1/20 0.35
MAPT P10636 1/20 0.34

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
SCHEMBL1708678 0.94 FFAR1 (0.46) FFAR1MTNR1AMTNR1BPPARDPPARG
SCHEMBL1708300 0.92 FFAR1 (0.38) FFAR1PPARDPPARGPPARAMAPT
SCHEMBL1708113 0.92 FFAR1 (0.40) FFAR1POLBGAANPC1PPARD
SCHEMBL1708140 0.91 FFAR1 (0.38) FFAR1POLBGAANPC1PPARD
SCHEMBL10291805 0.89 MTNR1A (0.39) FFAR1MTNR1AMTNR1BNPC1MAPT
SCHEMBL10292315 0.89 MTNR1A (0.39) FFAR1MTNR1AMTNR1BNPC1MAPT
SCHEMBL1708680 0.88 MTNR1A (0.39) FFAR1MTNR1AMTNR1BPOLBNPC1
SCHEMBL1708164 0.86 FFAR1 (0.37) FFAR1POLBGAANPC1PPARD
SCHEMBL10010980 0.85 FFAR1 (0.45) FFAR1PPARDPPARGPPARA
SCHEMBL1708439 0.85 FFAR1 (0.40) FFAR1POLBGAANPC1PPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2440541-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-04-18 EP disclosed
WO-2010143733-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-16 WO disclosed
WO-2010143733-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-16 WO disclosed