SCHEMBL7400977

SCHEMBL7400977

O=C(O)CCN(Cc1ccccc1)C(=O)c1cccc(N2CCN(c3ccncc3)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 3/20 0.47
PLOD3 O60568 3/20 0.47
PLOD1 Q02809 3/20 0.47
PPARG P37231 1/20 0.45
AOC3 Q16853 2/20 0.44
HTR1A P08908 2/20 0.44
DRD2 P14416 2/20 0.44
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ACACB O00763 1/20 0.42
ACACA Q13085 1/20 0.42

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
SCHEMBL7400975 0.90 HDAC1 (0.44)
SCHEMBL7329220 0.81 SLC2A1 (0.45)
SCHEMBL7329223 0.77 KHK (0.44) PLOD2PLOD3PLOD1AOC3HTR1A
SCHEMBL7329226 0.77 PLOD2 (0.46) PLOD2PLOD3PLOD1AOC3HTR1A
SCHEMBL8637900 0.77 OPRD1 (0.42) AOC3ALDH1A1
SCHEMBL8701561 0.76 AOC3 (0.46) PLOD2PLOD3PLOD1AOC3HTR1A
SCHEMBL12156485 0.76 PPARG (0.55) PPARGKMT2AL3MBTL1
SCHEMBL7402712 0.76 PLOD2 (0.53) PLOD2PLOD3PLOD1HTR1ADRD2
SCHEMBL27446148 0.72 OPRD1 (0.44) KMT2A
SCHEMBL8637905 0.72 ITGB3 (0.43) AOC3ALDH1A1

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 6 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
EP-0825184-A1 Heterocyclic derivatives as platelet aggregation inhibitors ZENECA LIMITED (GB) 1998-02-25 EP disclosed
US-5652242-A 3-METHYL-4-(4-(4-(4-PYRIDYL)PIPERAZIN-1-YL)PHENOXY)BURYIC ACID, AMIDE OR ESTER; INHIBITORS OF BINDING OF FIBRINOGEN TO GLYCOPROTEIN ZENECA LIMITED (GB) 1997-07-29 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