SCHEMBL6775247

SCHEMBL6775247

COC(=O)c1cc2c(OC)cccc2n1Cc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.65
MTNR1A P48039 4/20 0.62
MTNR1B P49286 4/20 0.62
MAPT P10636 6/20 0.58
THRB P10828 3/20 0.58
F10 P00742 4/20 0.53
PLA2G2A P14555 2/20 0.51
ALDH1A1 P00352 1/20 0.51
GAA P10253 1/20 0.51
PKM P14618 1/20 0.51
KMT2A Q03164 1/20 0.50
TP53 P04637 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL7234016 0.89 MAPT (0.55) CCR2MTNR1AMTNR1BMAPTTHRB
SCHEMBL6599256 0.87 MAPT (0.53) CCR2MTNR1AMTNR1BMAPTTHRB
SCHEMBL6599254 0.87 MAPT (0.56) CCR2MTNR1AMTNR1BMAPTTHRB
SCHEMBL6596058 0.87 MAPT (0.53) CCR2MTNR1AMTNR1BMAPTTHRB
SCHEMBL6596946 0.86 MAPT (0.59) MAPTTHRBF10ALDH1A1GAA
SCHEMBL6433700 0.85 CCR2 (0.54) CCR2MTNR1AMTNR1BMAPTTHRB
SCHEMBL6595855 0.84 MAPT (0.49) CCR2MTNR1AMTNR1BMAPTTHRB
SCHEMBL6308907 0.81 MAPT (0.59) CCR2MTNR1AMTNR1BMAPTTHRB
SCHEMBL3963296 0.81 CCR2 (0.72) CCR2MTNR1AMTNR1BMAPTTHRB
SCHEMBL7884326 0.80 KMT2A (0.72) CCR2MTNR1AMTNR1BMAPTTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6713645-B1 INHIBITING SPLA2 MEDIATED RELEASE OF FATTY ACIDS FOR TREATMENT OF CONDITIONS SUCH AS SEPTIC SHOCK ELI LILLY AND COMPANY 2004-03-30 US disclosed
EP-0950661-B1 Substituted tricyclics useful in sPLA2 induced diseases LILLY CO ELI (US) 2003-11-12 EP disclosed
EP-1156050-A2 Substituted tricyclics useful in sPLA2 induced diseases ELI LILLY AND COMPANY (US) 2001-11-21 EP disclosed
US-6177440-B1 THERAPY FOR SEPSIS SHOCK; PHOSPHOLIPASE INHBITOR ELI LILLY AND COMPANY 2001-01-23 US disclosed
EP-0950661-A1 Substituted tricyclics useful in sPLA2 induced diseases ELI LILLY AND COMPANY (US) 1999-10-20 EP disclosed