SCHEMBL7332012

SCHEMBL7332012

COC(=O)CCCOc1ccc(N2CCN(c3ccncc3)CC2)c(-c2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.48
HRH1 P35367 5/20 0.46
MAPT P10636 2/20 0.45
HRH2 P25021 3/20 0.45
KMT2A Q03164 1/20 0.44
HTR1A P08908 4/20 0.43
HTR7 P34969 3/20 0.43
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
DRD2 P14416 2/20 0.42
HTR6 P50406 1/20 0.42
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41

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
SCHEMBL7401781 0.90 HRH3 (0.51) HRH3HRH1MAPTHRH2PDE3B
SCHEMBL7330409 0.83 ITGB3 (0.46) HRH3HRH1HRH2HTR1AHTR7
SCHEMBL7402995 0.79 NPY2R (0.43) HRH3KMT2AHTR1AHTR7NPC1
SCHEMBL7330413 0.78 ITGB3 (0.47) HRH3HTR1AHTR7DRD2HTR6
SCHEMBL7401777 0.77 PPARG (0.45) HRH3KMT2ANPC1SMN1; SMN2ITGB3
SCHEMBL7395116 0.77 HRH3 (0.50) HRH3HRH1HRH2ITGB3ITGA2B
SCHEMBL7398338 0.76 BRD4 (0.49) HRH3HRH1MAPTHRH2PDE3B
SCHEMBL7325096 0.76 HRH3 (0.49) HRH3HRH1MAPTHRH2
SCHEMBL7330427 0.76 PPARG (0.45) HRH3HTR1AHTR7NPC1DRD2
SCHEMBL7392232 0.74 HRH3 (0.54) HRH3HRH1MAPTHRH2NPC1

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
EP-0691959-A1 HETEROCYCLIC DERIVATIVES AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1996-01-17 EP 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
WO-1994022834-A1 HETEROCYCLIC DERIVATIVES AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1994-10-13 WO disclosed