SCHEMBL7404283

SCHEMBL7404283

O=C(O)c1ccc(C(=O)CN2CCN(c3ccncc3)CC2)cc1.[NaH]

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.55
HRH3 Q9Y5N1 8/20 0.51
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
TSHR P16473 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MAPT P10636 1/20 0.48
TRPV6 Q9H1D0 1/20 0.47
HRH1 P35367 1/20 0.45

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
SCHEMBL27463569 0.89 POLB (0.64) POLBHRH3KDM4EALDH1A1TSHR
SCHEMBL9513582 0.86 POLB (0.52) POLBHRH3KDM4EALDH1A1MEN1
SCHEMBL7397858 0.85 ITGB3 (0.53) POLBHRH3KDM4EALDH1A1MEN1
SCHEMBL7404280 0.85 POLB (0.51) POLBHRH3KDM4EALDH1A1MEN1
Hydrochloric Acid SCHEMBL9023756 0.84 ITGB3 (0.52) POLBHRH3KDM4EALDH1A1MEN1
SCHEMBL7947516 0.83 KDM4E (0.59) POLBHRH3KDM4EALDH1A1TSHR
SCHEMBL8634430 0.83 POLB (0.52) POLBHRH3KDM4EALDH1A1MEN1
SCHEMBL7401271 0.83 POLB (0.50) POLBHRH3KDM4EALDH1A1MEN1
SCHEMBL7327928 0.82 HRH3 (0.59) POLBHRH3KDM4EALDH1A1MEN1
SCHEMBL5632521 0.82 POLB (0.54) POLBHRH3KDM4EALDH1A1SMN1; 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