SCHEMBL7399702

SCHEMBL7399702

CCOC(=O)/C=C/COc1ccccc1N1CCN(c2ccncc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.54
RAB9A P51151 1/20 0.50
HTR1A P08908 1/20 0.45
HTR7 P34969 1/20 0.45
PKM P14618 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TSHR P16473 1/20 0.42
ALDH1A1 P00352 2/20 0.42
HSD17B10 Q99714 1/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
GLA P06280 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 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
SCHEMBL7399703 0.84 ITGB3 (0.51) RAB9AALDH1A1KDM4ELMNAMAPT
SCHEMBL7334443 0.79 SMN1; SMN2 (0.56) SMN1; SMN2HTR1AHTR7PKML3MBTL1
SCHEMBL7403379 0.78 SMN1; SMN2 (0.55) SMN1; SMN2HTR1AHTR7PKML3MBTL1
SCHEMBL7398335 0.76 SMN1; SMN2 (0.53) SMN1; SMN2HTR1AHTR7PKML3MBTL1
SCHEMBL8634780 0.76 SMN1; SMN2 (0.48) SMN1; SMN2L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL7403369 0.74 SMN1; SMN2 (0.50) SMN1; SMN2HTR1AHTR7PKML3MBTL1
SCHEMBL7397024 0.73 SMN1; SMN2 (0.49) SMN1; SMN2HTR1AHTR7PKML3MBTL1
SCHEMBL7401158 0.73 SMN1; SMN2 (0.49) SMN1; SMN2HTR1AHTR7PKML3MBTL1
SCHEMBL17827637 0.72 SMN1; SMN2 (0.47) SMN1; SMN2L3MBTL1ALDH1A1MAPTNPSR1
SCHEMBL9275998 0.72 SMN1; SMN2 (0.53) SMN1; SMN2RAB9AHTR1AHTR7ALDH1A1

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 7 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
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