SCHEMBL8417070

SCHEMBL8417070

O=C1NCC(c2ccc(CCP(=O)(O)O)cc2)N1CCC1CCNCC1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 1/20 0.35
S1PR4 O95977 1/20 0.35
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
S1PR5 Q9H228 1/20 0.35
ITGB3 P05106 5/20 0.34
ITGA2B P08514 5/20 0.34
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
ATM Q13315 1/20 0.32
ITGA2 P17301 1/20 0.32
NMT1 P30419 3/20 0.32

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
SCHEMBL8414033 0.84 ITGB3 (0.51) ITGB3ITGA2BATMITGA2
Hydrochloric Acid SCHEMBL8413783 0.83 ITGB3 (0.50) ITGB3ITGA2BATMITGA2
Hydrochloric Acid SCHEMBL8416948 0.78 ITGB3 (0.44) ITGB3ITGA2BITGA2
SCHEMBL8417125 0.75 SLC6A4 (0.36) ITGB3ITGA2BATMITGA2
SCHEMBL7386174 0.74 DRD2 (0.43) S1PR1
Hydrochloric Acid SCHEMBL8416019 0.74 ITGB3 (0.50) ITGB3ITGA2BITGA2
Hydrochloric Acid SCHEMBL8417101 0.74 SLC6A4 (0.35) ITGB3ITGA2BATMITGA2
Hydrochloric Acid SCHEMBL8417075 0.73 ITGB3 (0.40) ITGB3ITGA2B
SCHEMBL8415959 0.73 CACNA2D1 (0.43) ITGB3ITGA2BATMITGA2
SCHEMBL8562091 0.72 HRH3 (0.39) ITGB3ITGA2BATM

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