SCHEMBL8604342

SCHEMBL8604342

O=C(CN1CCN(c2ccncc2)CC1)c1ccc(OC(C(=O)O)C(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
POLB P06746 2/20 0.48
ALDH1A1 P00352 4/20 0.47
HTT P42858 2/20 0.47
HRH1 P35367 1/20 0.47
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
KDM4E B2RXH2 3/20 0.45
MAPT P10636 1/20 0.45
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 1/20 0.43

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
SCHEMBL7402652 0.89 HRH3 (0.53) HRH3MEN1KMT2APOLBALDH1A1
SCHEMBL8898639 0.83 HRH3 (0.53) HRH3MEN1KMT2APOLBALDH1A1
SCHEMBL7327928 0.82 HRH3 (0.59) HRH3MEN1KMT2APOLBALDH1A1
SCHEMBL7404283 0.81 POLB (0.55) HRH3MEN1KMT2APOLBALDH1A1
SCHEMBL27463569 0.81 POLB (0.64) HRH3POLBALDH1A1HTTKDM4E
SCHEMBL8891426 0.81 HRH3 (0.57) HRH3MEN1KMT2APOLBALDH1A1
SCHEMBL7397664 0.80 ITGB3 (0.57) HRH3MEN1KMT2APOLBALDH1A1
SCHEMBL7399638 0.79 HRH3 (0.58) HRH3MEN1KMT2APOLBALDH1A1
SCHEMBL9513582 0.79 POLB (0.52) HRH3MEN1KMT2APOLBALDH1A1
SCHEMBL7397858 0.78 ITGB3 (0.53) HRH3MEN1KMT2APOLBALDH1A1

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 4 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-5563141-A INHIBIT CELL ADHESION FOR EXAMPLE, PLATELET AGGRE GATION ZENECA LIMITED (GB) 1996-10-08 US disclosed