SCHEMBL6774080

SCHEMBL6774080

COc1cccc2c1cc(C=O)n2Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.56
MTNR1B P49286 3/20 0.56
CCR2 P41597 1/20 0.52
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.47
NTRK1 P04629 2/20 0.46
PLA2G2A P14555 4/20 0.46
THRB P10828 1/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.44
MAPT P10636 1/20 0.44
CYP19A1 P11511 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
P2RX4 Q99571 1/20 0.43

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
SCHEMBL2157047 0.81 MAPK1 (0.58) MTNR1AMTNR1BCCR2KMT2AMEN1
SCHEMBL26473 0.78 MTNR1B (0.67) MTNR1AMTNR1BCCR2KMT2ANTRK1
SCHEMBL6778354 0.77 MTNR1B (0.66) MTNR1AMTNR1BCCR2KMT2ANTRK1
SCHEMBL6775247 0.77 CCR2 (0.65) MTNR1AMTNR1BCCR2KMT2APLA2G2A
SCHEMBL21803739 0.76 GAA (0.45) KMT2AMEN1MAPTCYP19A1
SCHEMBL13632218 0.75 MTNR1B (0.60) MTNR1AMTNR1BCCR2KMT2AMEN1
SCHEMBL2156774 0.75 MTNR1A (0.52) MTNR1AMTNR1BCCR2KMT2AMEN1
SCHEMBL4797082 0.74 CCR2 (0.58) CCR2KMT2AMEN1CYP19A1SMN1; SMN2
SCHEMBL14154245 0.74 MTNR1A (0.56) MTNR1AMTNR1BCCR2KMT2ANTRK1
SCHEMBL2156783 0.74 CCR2 (0.52) MTNR1AMTNR1BCCR2KMT2ANTRK1

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