SCHEMBL8415959

SCHEMBL8415959

O=C(O)CC(c1ccccc1)c1ccc(C2CNC(=O)N2CCC2CCNCC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 2/20 0.43
CACNA1B Q00975 2/20 0.43
CACNB1 Q02641 2/20 0.43
ITGB3 P05106 14/20 0.41
ITGA2B P08514 14/20 0.41
F2R P25116 1/20 0.39
ATM Q13315 1/20 0.38
NAMPT P43490 1/20 0.35
ITGA2 P17301 1/20 0.35

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
Hydrochloric Acid SCHEMBL8416001 0.99 CACNA2D1 (0.43) CACNA2D1CACNA1BCACNB1ITGB3ITGA2B
SCHEMBL8414033 0.80 ITGB3 (0.51) ITGB3ITGA2BATMITGA2
Hydrochloric Acid SCHEMBL8413783 0.79 ITGB3 (0.50) ITGB3ITGA2BATMITGA2
SCHEMBL8417125 0.78 SLC6A4 (0.36) ITGB3ITGA2BATMITGA2
Hydrochloric Acid SCHEMBL8417101 0.77 SLC6A4 (0.35) ITGB3ITGA2BATMITGA2
SCHEMBL7392292 0.76 CACNA2D1 (0.46) CACNA2D1CACNA1BCACNB1ITGB3ITGA2B
Hydrochloric Acid SCHEMBL7385931 0.75 CACNA2D1 (0.45) CACNA2D1CACNA1BCACNB1ITGB3ITGA2B
Hydrochloric Acid SCHEMBL8416948 0.74 ITGB3 (0.44) ITGB3ITGA2BITGA2
Hydrochloric Acid SCHEMBL8417075 0.74 ITGB3 (0.40) ITGB3ITGA2B
SCHEMBL8417070 0.73 S1PR2 (0.35) ITGB3ITGA2BATMITGA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5880284-A HAVING ANTITHROMBOTIC, ANTIAGGREGATORY AND TUMOR- OR METASTASES-INHIBITING EFFECTS DR. KARL THOMAE GMBH (DE) 1999-03-09 US disclosed
US-5681841-A PREVENTION CELL AGGREGATION KARL THOMAE GMBH (DE) 1997-10-28 US disclosed