SCHEMBL7501496

SCHEMBL7501496

COC(=O)CCNC(=O)c1cccc(N2CCN(c3ccncc3)CC2)c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 2/20 0.56
PLOD3 O60568 2/20 0.56
PLOD1 Q02809 2/20 0.56
DRD4 P21917 6/20 0.53
HSD17B10 Q99714 1/20 0.49
DRD2 P14416 2/20 0.48
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
MAPT P10636 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
PMP22 Q01453 1/20 0.48

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
SCHEMBL7402712 0.87 PLOD2 (0.53) PLOD2PLOD3PLOD1DRD4HSD17B10
SCHEMBL7501490 0.87 DRD2 (0.56) DRD2
SCHEMBL7396565 0.81 SLC2A1 (0.55) DRD2MAPT
SCHEMBL8635359 0.79 PRSS1 (0.51) DRD4DRD2
SCHEMBL7501506 0.76 PLOD2 (0.51) PLOD2PLOD3PLOD1DRD4HSD17B10
SCHEMBL9080272 0.74 HRH3 (0.51) DRD2
SCHEMBL7900184 0.74 PRSS1 (0.53) HSD17B10MAPT
SCHEMBL7402715 0.74 PLOD2 (0.53) PLOD2PLOD3PLOD1HSD17B10MAPT
SCHEMBL7402710 0.73 DRD2 (0.59) DRD2CYP1A2
SCHEMBL7397112 0.73 HTR1A (0.54) DRD4DRD2

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