SCHEMBL7501506

SCHEMBL7501506

COC(=O)C(C)NC(=O)c1cccc(N2CCN(c3ccncc3)CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 3/20 0.51
PLOD3 O60568 3/20 0.51
PLOD1 Q02809 3/20 0.51
F2 P00734 1/20 0.50
F10 P00742 1/20 0.50
PRSS1 P07477 1/20 0.50
ROCK2 O75116 2/20 0.49
AOC3 Q16853 2/20 0.47
PRKD1 Q15139 1/20 0.44
ALDH1A1 P00352 2/20 0.43
HSD17B10 Q99714 1/20 0.42
KMT2A Q03164 1/20 0.42
PDGFRB P09619 1/20 0.42
KDR P35968 1/20 0.42
KHK P50053 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP3A5 P20815 1/20 0.42
DRD4 P21917 1/20 0.41
HIF1A Q16665 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL7402715 0.88 PLOD2 (0.53) PLOD2PLOD3PLOD1F2F10
SCHEMBL8699411 0.80 F10 (0.48) F2F10PRSS1ROCK2KMT2A
SCHEMBL7501496 0.76 PLOD2 (0.56) PLOD2PLOD3PLOD1HSD17B10CYP3A4
SCHEMBL13702169 0.76 MEN1 (0.62) PRKD1ALDH1A1HSD17B10KMT2AGAA
SCHEMBL13702168 0.75 PRKD1 (0.61) PLOD2PLOD3PLOD1PRKD1ALDH1A1
SCHEMBL13702156 0.75 MEN1 (0.60) PRKD1ALDH1A1HSD17B10KMT2AGAA
SCHEMBL7329226 0.74 PLOD2 (0.46) PLOD2PLOD3PLOD1F2F10
SCHEMBL13702119 0.74 HDAC4 (0.50) PLOD2PLOD3PLOD1PRKD1ALDH1A1
SCHEMBL13702120 0.74 KMO (0.63) PLOD2PLOD3PLOD1PRKD1ALDH1A1
SCHEMBL31530474 0.73 KDM4C (0.48) ALDH1A1HSD17B10

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
EP-0691959-B1 HETEROCYCLIC DERIVATIVES AS PLATELET AGGREGATION INHIBITORS ZENECA LTD (GB) 1998-07-22 EP disclosed
US-5563141-A INHIBIT CELL ADHESION FOR EXAMPLE, PLATELET AGGRE GATION ZENECA LIMITED (GB) 1996-10-08 US disclosed
US-5556977-A ANTIAGGLOMERANTS FOR CELLS, ANTICOAGULANTS, ANTIISCHEMIC AGENTS USING PYRIDINYLPIPERAZINE DERIVATIVES ZENECA LIMITED (GB) 1996-09-17 US disclosed
EP-0690847-A1 HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1996-01-10 EP disclosed
WO-1994022835-A2 HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1994-10-13 WO disclosed