SCHEMBL7398338

SCHEMBL7398338

CCOC(=O)CCCOc1ccc(N2CCN(c3ccncc3)CC2)c(C)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.49
HRH3 Q9Y5N1 11/20 0.48
PDE3B Q13370 2/20 0.46
PDE3A Q14432 2/20 0.46
HRH1 P35367 3/20 0.44
MAPT P10636 1/20 0.43
ACACB O00763 1/20 0.43
ACACA Q13085 1/20 0.43
FAAH O00519 1/20 0.43
METAP1 P53582 1/20 0.42
P2RY12 Q9H244 1/20 0.42
HRH2 P25021 1/20 0.42
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42

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
SCHEMBL7395116 0.88 HRH3 (0.50) HRH3HRH1HRH2ITGB3ITGA2B
SCHEMBL7334450 0.88 HRH3 (0.57) HRH3HRH1MAPTFAAHHRH2
SCHEMBL7403373 0.86 FAAH (0.54) BRD4HRH3PDE3BPDE3AHRH1
SCHEMBL7325096 0.85 HRH3 (0.49) HRH3HRH1MAPTFAAHMETAP1
SCHEMBL8889829 0.85 HRH3 (0.58) HRH3HRH1MAPTFAAHHRH2
SCHEMBL7397026 0.83 FAAH (0.51) BRD4HRH3HRH1MAPTFAAH
SCHEMBL8889153 0.81 KDM4E (0.47) HRH3MAPTITGB3ITGA2B
SCHEMBL7334443 0.81 SMN1; SMN2 (0.56) MAPT
SCHEMBL7398346 0.79 SMN1; SMN2 (0.44) HRH3MAPTMETAP1ITGB3ITGA2B
SCHEMBL7403379 0.78 SMN1; SMN2 (0.55) HRH3

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-0825184-B1 Heterocyclic derivatives as platelet aggregation inhibitors ASTRAZENECA AB (SE) 2001-06-20 EP disclosed
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-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