SCHEMBL7548475

SCHEMBL7548475

Clc1cccc(-c2cncc(-c3cn(CCN4CCCCC4)c4cccc(Cl)c34)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.52
FLT1 P17948 3/20 0.46
FLT4 P35916 3/20 0.46
GRIN2B Q13224 2/20 0.43
GRIN1 Q05586 1/20 0.43
DRD2 P14416 1/20 0.40
P2RX7 Q99572 5/20 0.40
IL1B P01584 4/20 0.40
AVPR1B P47901 1/20 0.38
HRH3 Q9Y5N1 3/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL7554600 0.94 KDR (0.54) KDRFLT1FLT4GRIN2BGRIN1
SCHEMBL7554146 0.92 KDR (0.56) KDRFLT1FLT4GRIN2BGRIN1
SCHEMBL7986598 0.91 KDR (0.53) KDRFLT1FLT4GRIN2BGRIN1
SCHEMBL7546351 0.91 KDR (0.53) KDRFLT1FLT4DRD2P2RX7
SCHEMBL7549957 0.88 KDR (0.49) KDRFLT1FLT4DRD2HRH3
SCHEMBL7553508 0.87 KDR (0.69) KDRFLT1FLT4GRIN2BGRIN1
SCHEMBL7552023 0.86 KDR (0.40) KDRFLT1FLT4GRIN2BGRIN1
SCHEMBL7549411 0.86 KDR (0.58) KDRFLT1FLT4HRH3
SCHEMBL7548789 0.85 KDR (0.55) KDRFLT1FLT4HRH3
SCHEMBL7551698 0.85 KDR (0.73) KDRFLT1FLT4P2RX7IL1B

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