SCHEMBL7553648

SCHEMBL7553648

COc1cccc2c(-c3cncc(-c4cccc(Cl)c4)c3)cn(CCCN3CCCCC3)c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.50
FLT1 P17948 2/20 0.50
FLT4 P35916 2/20 0.50
CNR2 P34972 2/20 0.44
HRH3 Q9Y5N1 5/20 0.41
GSK3B P49841 2/20 0.39
QPCT Q16769 2/20 0.39
DRD2 P14416 2/20 0.39
DRD3 P35462 2/20 0.39
AVPR1B P47901 1/20 0.38
HTR2A P28223 2/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
HTR1A P08908 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38

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
SCHEMBL7550092 0.95 KDR (0.49) KDRFLT1FLT4CNR2HRH3
SCHEMBL7549301 0.93 KDR (0.52) KDRFLT1FLT4CNR2HRH3
SCHEMBL7554716 0.92 KDR (0.51) KDRFLT1FLT4CNR2HRH3
SCHEMBL7550389 0.91 KDR (0.55) KDRFLT1FLT4CNR2HRH3
SCHEMBL7555367 0.90 KDR (0.51) KDRFLT1FLT4CNR2HRH3
SCHEMBL7549404 0.88 KDR (0.51) KDRFLT1FLT4CNR2HRH3
SCHEMBL7990490 0.87 KDR (0.49) KDRFLT1FLT4CNR2GSK3B
SCHEMBL7554271 0.86 KDR (0.49) KDRFLT1FLT4CNR2HRH3
SCHEMBL7551199 0.85 KDR (0.54) KDRFLT1FLT4CNR2HRH3
SCHEMBL7993934 0.85 KDR (0.70) KDRFLT1FLT4CNR2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1147107-A4 NOVEL ANGIOGENESIS INHIBITORS MERCK & CO INC (US) 2002-05-22 EP claimed
EP-1147107-A1 NOVEL ANGIOGENESIS INHIBITORS Merck & Co., Inc. (US) 2001-10-24 EP claimed
WO-2000043393-A1 NOVEL ANGIOGENESIS INHIBITORS MERCK & CO., INC. (US) 2000-07-27 WO claimed
EP-1147107-A4 NOVEL ANGIOGENESIS INHIBITORS MERCK & CO INC (US) 2002-05-22 EP disclosed
EP-1147107-A1 NOVEL ANGIOGENESIS INHIBITORS Merck & Co., Inc. (US) 2001-10-24 EP disclosed
US-6265403-B1 TYROSINE INHIBITORS MERCK & CO., INC. 2001-07-24 US disclosed
WO-2000043393-A1 NOVEL ANGIOGENESIS INHIBITORS MERCK & CO., INC. (US) 2000-07-27 WO disclosed