SCHEMBL7501490

SCHEMBL7501490

COC(=O)CCNC(=O)c1ccc(N2CCN(c3ccncc3)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.56
ALDH1A1 P00352 1/20 0.53
GFER P55789 1/20 0.53
DRD3 P35462 1/20 0.49
HTR1A P08908 1/20 0.48
ADRA1A P35348 1/20 0.48
TP53 P04637 1/20 0.47
THRB P10828 1/20 0.47
CHRNA10 Q9GZZ6 1/20 0.47
CHRNA9 Q9UGM1 1/20 0.47

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
SCHEMBL7396565 0.88 SLC2A1 (0.55) DRD2ALDH1A1
SCHEMBL7501496 0.87 PLOD2 (0.56) DRD2
SCHEMBL7402710 0.86 DRD2 (0.59) DRD2
SCHEMBL7958146 0.82 NAAA (0.62) DRD2CHRNA10CHRNA9
SCHEMBL8635359 0.81 PRSS1 (0.51) DRD2DRD3HTR1A
SCHEMBL9080272 0.79 HRH3 (0.51) DRD2HTR1A
SCHEMBL7402549 0.78 ITGB3 (0.49) DRD2ALDH1A1
SCHEMBL7397112 0.78 HTR1A (0.54) DRD2HTR1A
SCHEMBL7539336 0.77 KDM4E (0.60) ALDH1A1GFER
SCHEMBL7655831 0.77 KDM4E (0.56) ALDH1A1GFERCHRNA10CHRNA9

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 5 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
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