SCHEMBL7401271

SCHEMBL7401271

O=C(CN1CCN(c2ccncc2)CC1)c1ccc(CC(O)=S)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
HRH3 Q9Y5N1 5/20 0.47
DRD4 P21917 1/20 0.46
SLC6A4 P31645 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HTR1A P08908 1/20 0.45
DRD2 P14416 1/20 0.45
MAPT P10636 1/20 0.44
TRPV6 Q9H1D0 1/20 0.43
ITGB3 P05106 2/20 0.43
ITGA2B P08514 2/20 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
SCHEMBL7397858 0.90 ITGB3 (0.53) POLBHRH3DRD4SLC6A4MEN1
Hydrochloric Acid SCHEMBL9023756 0.89 ITGB3 (0.52) POLBHRH3DRD4SLC6A4MEN1
SCHEMBL7401267 0.86 POLB (0.48) POLBHRH3DRD4SLC6A4MEN1
SCHEMBL7401847 0.86 MEN1 (0.50) POLBHRH3MEN1KMT2AALDH1A1
SCHEMBL7400645 0.83 MEN1 (0.52) POLBHRH3MEN1KMT2AALDH1A1
SCHEMBL7401844 0.83 HRH3 (0.50) POLBHRH3DRD4SLC6A4MEN1
SCHEMBL7404283 0.83 POLB (0.55) POLBHRH3MEN1KMT2AALDH1A1
SCHEMBL27463569 0.83 POLB (0.64) POLBHRH3ALDH1A1KDM4ETSHR
SCHEMBL7404732 0.81 HRH3 (0.51) POLBHRH3MEN1KMT2AALDH1A1
SCHEMBL9513582 0.81 POLB (0.52) POLBHRH3DRD4MEN1KMT2A

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 6 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-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