SCHEMBL7403746

SCHEMBL7403746

COC(=O)CNC(=O)COc1ccc(C(=O)CN2CCN(c3ccncc3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.53
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HRH1 P35367 1/20 0.46
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
ITGB3 P05106 2/20 0.42
ITGA2B P08514 2/20 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
SCHEMBL7335436 0.90 HRH3 (0.59) HRH3MEN1KMT2AHRH1ALDH1A1
SCHEMBL7546222 0.87 HRH3 (0.55) HRH3MEN1KMT2AHRH1ALDH1A1
SCHEMBL7398284 0.87 HRH3 (0.58) HRH3MEN1KMT2AHRH1ALDH1A1
SCHEMBL7327928 0.84 HRH3 (0.59) HRH3MEN1KMT2AHRH1ALDH1A1
SCHEMBL8605346 0.83 ALDH1A1 (0.55) HRH3KMT2AHRH1ALDH1A1KDM4E
SCHEMBL7401601 0.82 HRH3 (0.60) HRH3MEN1KMT2AHRH1ALDH1A1
SCHEMBL7400470 0.81 HRH3 (0.54) HRH3MEN1KMT2AHRH1ALDH1A1
SCHEMBL7399638 0.81 HRH3 (0.58) HRH3MEN1KMT2AHRH1ALDH1A1
SCHEMBL7406284 0.80 MEN1 (0.63) HRH3MEN1KMT2AHRH1ALDH1A1
SCHEMBL7400645 0.79 MEN1 (0.52) HRH3MEN1KMT2AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996035711-A1 PEPTIDE COMPOUNDS WHICH INHIBIT METALLOPROTEINASE AND TNF LIBERATION, AND THEIR THERAPEUTIC USE CHIROSCIENCE LIMITED (GB) 1996-11-14 WO claimed
US-5981491-A PEPTIDES; METALLOENZYMES; TUMOR NECROSIS FACTOR DARWIN DISCOVERY LIMITED (GB) 1999-11-09 US disclosed
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-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