SCHEMBL8889153

SCHEMBL8889153

CCOC(=O)CCCOc1ccc(N2CCN(c3ccncc3)CC2)cc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
MAPT P10636 2/20 0.47
HTR1A P08908 4/20 0.46
HTR2A P28223 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HPGD P15428 3/20 0.43
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
GLA P06280 1/20 0.43
HRH3 Q9Y5N1 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ITGB3 P05106 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
SCHEMBL7400703 0.88 KDM4E (0.49) KDM4EMAPTHTR1AHTR2AHPGD
SCHEMBL9079517 0.88 HTR1A (0.41) KDM4EMAPTHTR1AHTR2AHRH3
SCHEMBL8887870 0.86 MAPT (0.47) KDM4EMAPTMEN1KMT2AHPGD
SCHEMBL7334450 0.85 HRH3 (0.57) MAPTHRH3ITGB3ITGA2B
SCHEMBL8907342 0.85 L3MBTL1 (0.46) KDM4EMAPTHTR1AHTR2AMEN1
SCHEMBL7334443 0.85 SMN1; SMN2 (0.56) KDM4EMAPTHTR1AMEN1KMT2A
SCHEMBL7403373 0.83 FAAH (0.54) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL8889829 0.82 HRH3 (0.58) MAPTHRH3ITGB3ITGA2B
SCHEMBL7403379 0.82 SMN1; SMN2 (0.55) KDM4EHTR1AMEN1KMT2AHRH3
SCHEMBL7398338 0.81 BRD4 (0.49) MAPTHRH3ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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