SCHEMBL7400469

SCHEMBL7400469

CCCCS(=O)(=O)NCCc1ccc(C(=O)CN2CCN(c3ccncc3)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 1/20 0.45
TBXAS1 P24557 1/20 0.45
S1PR1 P21453 1/20 0.45
HRH3 Q9Y5N1 4/20 0.45
LMNA P02545 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HTT P42858 3/20 0.42
TSHR P16473 1/20 0.42
DRD4 P21917 1/20 0.42
SLC6A4 P31645 1/20 0.42
ITGB3 P05106 2/20 0.42
ITGA2B P08514 2/20 0.42
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL7393627 0.91 HRH3 (0.47) S1PR1HRH3LMNADRD4SLC6A4
SCHEMBL7398399 0.84 LMNA (0.51) HRH3LMNASMN1; SMN2HTTTSHR
SCHEMBL8636667 0.82 ITGB3 (0.55) S1PR1HRH3SLC6A4ITGB3ITGA2B
SCHEMBL7399688 0.81 ALDH1A1 (0.57) TBXA2RTBXAS1LMNASMN1; SMN2HTT
SCHEMBL7400250 0.81 ITGB3 (0.49) S1PR1HRH3SLC6A4ITGB3ITGA2B
SCHEMBL7399968 0.79 HTR1A (0.48) S1PR1HRH3LMNASMN1; SMN2HTT
SCHEMBL9517111 0.77 HRH3 (0.49) HRH3LMNASMN1; SMN2HTTTSHR
SCHEMBL9080516 0.76 MEN1 (0.50) HRH3SMN1; SMN2HTTTSHRDRD4
SCHEMBL7404198 0.74 ITGB3 (0.49) SMN1; SMN2ITGB3ITGA2BALDH1A1
SCHEMBL7401837 0.73 TBXA2R (0.49) TBXA2RTBXAS1LMNASMN1; SMN2HTT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5563141-A INHIBIT CELL ADHESION FOR EXAMPLE, PLATELET AGGRE GATION ZENECA LIMITED (GB) 1996-10-08 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