SCHEMBL7399577

SCHEMBL7399577

C=CCOCC=C.Oc1ccc(N2CCN(c3ccncc3)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHKA P35790 1/20 0.43
GRM5 P41594 1/20 0.41
KDM4E B2RXH2 3/20 0.41
GAA P10253 3/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
ALDH1A1 P00352 3/20 0.41
PKM P14618 1/20 0.41
DRD4 P21917 2/20 0.40
ADRB2 P07550 1/20 0.40
NCF1 P14598 1/20 0.40
PLD1 Q13393 1/20 0.40
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GFER P55789 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL8634783 0.82 GAA (0.47) CHKAGAAMAPTDRD4MEN1
SCHEMBL7334978 0.82 CHKA (0.61) CHKAKDM4EGAAMAPTLMNA
Phenol SCHEMBL8634778 0.80 HRH3 (0.42) CHKAKDM4EGAAMAPTALDH1A1
SCHEMBL7329611 0.79 METAP1 (0.52) CHKAITGB3ITGA2B
Hydroquinone SCHEMBL438337 0.75 HSD17B10 (0.42) KDM4EGAAMAPTLMNAALDH1A1
SCHEMBL8633838 0.73 CHKA (0.34) CHKAKDM4EGAAMAPTLMNA
SCHEMBL7335333 0.71 GABRA1 (0.47) CHKAGAAMAPTLMNAALDH1A1
SCHEMBL28112415 0.71 CHKA (0.80) CHKAKDM4EGAAMAPTLMNA
SCHEMBL7041242 0.71 MAPT (0.68) KDM4EGAAMAPTLMNAALDH1A1
SCHEMBL8634780 0.70 SMN1; SMN2 (0.48) CHKAKDM4ELMNAALDH1A1DRD4

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 8 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
CN-1120334-A Heterocyclic derivatives as platelet aggregation inhibitors ZENECA LTD (GB) 1996-04-10 CN 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