SCHEMBL6261189

SCHEMBL6261189

CCCCCc1c[nH]nc1C=O

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.40
EPAS1 Q99814 1/20 0.40
HCAR2 Q8TDS4 4/20 0.35
HCAR3 P49019 1/20 0.35
GPR84 Q9NQS5 7/20 0.34
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
TSHR P16473 1/20 0.33
MAPT P10636 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
SCHEMBL18857270 0.83 THRA (0.38) HCAR2GPR84THRATHRBTSHR
SCHEMBL4706518 0.83
SCHEMBL1436798 0.76 TAAR1 (0.32)
SCHEMBL27378739 0.76 TYR (0.37) HCAR2HCAR3TSHRMAPT
SCHEMBL370841 0.76 TDP1 (0.35) HCAR2HCAR3TSHRMAPT
SCHEMBL28300224 0.74 LIPG (0.38) HCAR2GPR84TSHRMAPT
SCHEMBL28300226 0.74 LIPG (0.38) HCAR2GPR84TSHRMAPT
SCHEMBL1880278 0.74 ALOX5 (0.44) HIF1AHCAR2HCAR3TSHRMAPT
SCHEMBL31013116 0.74 TYR (0.40) HCAR2GPR84THRBTSHRMAPT
SCHEMBL544780 0.74 TLR8 (0.42)

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-1581521-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-10-05 EP disclosed
WO-2004063190-A1 FUSED HETEROCYCLIC DERIVATES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2004-07-29 WO disclosed