SCHEMBL7106700

SCHEMBL7106700

CCOC1C[C@@H](C(=O)NC(=O)[C@H]2CCCCN2)N(Cc2ccc(C(=N)N)cc2)C1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F2 P00734 19/20 0.39
MASP2 O00187 3/20 0.37
PRSS1 P07477 2/20 0.35
TPSAB1 Q15661 2/20 0.35
TPSD1 Q9BZJ3 2/20 0.35
TPSG1 Q9NRR2 2/20 0.35
PLG P00747 1/20 0.35
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL7102852 0.86 OPRK1 (0.40) F2MASP2PRSS1PLG
Hydrochloric Acid SCHEMBL7145270 0.86 OPRK1 (0.40) F2MASP2
SCHEMBL7105021 0.82 F2 (0.49) F2
Hydrochloric Acid SCHEMBL7147052 0.81 F2 (0.51) F2
SCHEMBL7144656 0.70 F2 (0.45) F2PRSS1PLG
Hydrochloric Acid SCHEMBL7148146 0.70 F2 (0.46) F2PRSS1PLG
SCHEMBL8809131 0.67 HTR2C (0.64) F2MASP2KDM4E
Hydrochloric Acid SCHEMBL5900833 0.66 HTR2C (0.62) F2MASP2KDM4E
Hydrochloric Acid SCHEMBL5900838 0.66 HTR2C (0.62) F2MASP2KDM4E
SCHEMBL1162982 0.66 MAOA (0.45)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0672658-B1 Antithrombotic agents ASTRAZENECA AB (SE) 2003-09-17 EP claimed