SCHEMBL7396290

SCHEMBL7396290

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

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.53
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
HRH1 P35367 1/20 0.48
MAPT P10636 1/20 0.45
HTR7 P34969 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
MC4R P32245 1/20 0.43
ABCB1 P08183 2/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
CHRM2 P08172 1/20 0.43
ADRA2B P18089 1/20 0.43
DRD3 P35462 1/20 0.43
SIGMAR1 Q99720 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
SCHEMBL7398259 0.86 ITGB3 (0.50) HRH3ITGB3ITGA2BHRH1MAPT
SCHEMBL7335436 0.84 HRH3 (0.59) HRH3ITGB3ITGA2BHRH1MAPT
SCHEMBL7406284 0.82 MEN1 (0.63) HRH3HRH1ALDH1A1
Hydrochloric Acid SCHEMBL8838110 0.81 KMT2A (0.61) HRH3HRH1MAPTALDH1A1
SCHEMBL7398918 0.80 POLB (0.60) HRH3HRH1
SCHEMBL7394882 0.79 HRH3 (0.49) HRH3ITGB3ITGA2BHRH1MAPT
SCHEMBL7400448 0.76 F10 (0.52) HRH3ITGB3ITGA2BMAPTSMN1; SMN2
SCHEMBL7402704 0.76 GAA (0.48) HRH3HRH1MAPTGAA
SCHEMBL7394056 0.75 TRPV1 (0.62) MAPTSMN1; SMN2ALDH1A1GAA
SCHEMBL7405501 0.75 F10 (0.49) HRH3ITGB3ITGA2BMAPTSMN1; SMN2

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