SCHEMBL7403781

SCHEMBL7403781

COC(=O)CCCc1ccc(CN2CCN(c3ccncc3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.52
SLC6A4 P31645 1/20 0.52
POLB P06746 1/20 0.46
HTR1A P08908 2/20 0.46
DRD2 P14416 2/20 0.46
HRH3 Q9Y5N1 2/20 0.44
HDAC6 Q9UBN7 1/20 0.44
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
LSS P48449 1/20 0.43
HDAC1 Q13547 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 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
SCHEMBL7397902 0.97 DRD4 (0.54) DRD4SLC6A4POLBHTR1ADRD2
SCHEMBL8905952 0.89 DRD4 (0.50) DRD4SLC6A4POLBHTR1ADRD2
SCHEMBL7403454 0.85 DRD4 (0.59) DRD4SLC6A4POLBHTR1ADRD2
SCHEMBL7493712 0.82 DRD4 (0.61) DRD4SLC6A4POLBHTR1ADRD2
SCHEMBL27442371 0.81 DRD4 (0.44) DRD4SLC6A4HTR1ADRD2HRH3
SCHEMBL5633970 0.81 CHKA (0.56) POLBHRH3HDAC6KMT2AHSD17B10
SCHEMBL4541604 0.80 DRD4 (0.57) DRD4HDAC6KMT2AHSD17B10HDAC1
SCHEMBL9080516 0.80 MEN1 (0.50) DRD4SLC6A4POLBHTR1ADRD2
SCHEMBL8634749 0.80 HRH3 (0.48) DRD4SLC6A4POLBHRH3KMT2A
Hydrochloric Acid SCHEMBL8838061 0.79 HRH3 (0.53) DRD2HRH3KMT2A

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
EP-0825184-A1 Heterocyclic derivatives as platelet aggregation inhibitors ZENECA LIMITED (GB) 1998-02-25 EP 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