SCHEMBL6439399

SCHEMBL6439399

CCOC(=O)c1cc2cc(OCc3ccccc3)ccc2n1Cc1cccc(C#N)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.60
CCR2 P41597 1/20 0.56
SRD5A2 P31213 1/20 0.50
NOD2 Q9HC29 1/20 0.49
NOD1 Q9Y239 1/20 0.49
CNR1 P21554 1/20 0.48
LTB4R Q15722 1/20 0.48
LTB4R2 Q9NPC1 1/20 0.48
PPARG P37231 1/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
FFAR1 O14842 1/20 0.46
MEN1 O00255 1/20 0.46
HSP90AA1 P07900 1/20 0.46
KMT2A Q03164 1/20 0.46
PLA2G4A P47712 1/20 0.46

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
SCHEMBL7420738 0.93 F10 (0.70) F10CCR2SRD5A2CNR1LTB4R
SCHEMBL6432803 0.89 CCR2 (0.70) F10CCR2SRD5A2CNR1LTB4R
SCHEMBL6433289 0.85 NOD2 (0.67) F10CCR2NOD2NOD1POLB
SCHEMBL6433615 0.84 CCR2 (0.58) F10CCR2NOD2NOD1CNR1
SCHEMBL6432762 0.84 CCR2 (0.58) F10CCR2NOD2NOD1CNR1
SCHEMBL6432419 0.84 F10 (0.71) F10CCR2SRD5A2CNR1PPARG
SCHEMBL6433663 0.83 F10 (0.50) F10CCR2NOD2NOD1POLB
SCHEMBL18733284 0.81 LTB4R (0.63) F10SRD5A2LTB4RLTB4R2POLB
Trifluoroacetic Acid SCHEMBL6433147 0.80 CCR2 (0.54) F10CCR2NOD2NOD1CNR1
SCHEMBL2430844 0.79 SRD5A2 (0.55) F10SRD5A2NOD2NOD1LTB4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1042287-B1 INDOLE DERIVATIVES AS INHIBITORS OF FACTOR XA AVENTIS PHARMA GMBH (DE) 2005-04-20 EP disclosed
US-6337344-B1 ANTICOAGULANTS AND ENZYME INHIBITORS FOR CARDIOVASCULAR DISORDERS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-01-08 US disclosed
EP-1042287-A1 INDOLE DERIVATIVES AS INHIBITORS OF FACTOR XA Aventis Pharma Deutschland GmbH (DE) 2000-10-11 EP disclosed
WO-1999033800-A1 INDOLE DERIVATIVES AS INHIBITORS OR FACTOR XA AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 1999-07-08 WO disclosed