SCHEMBL7104993

SCHEMBL7104993

CC(C)CC[C@H]1C[C@@H](C(=O)NCc2ccc(C(=N)N)cc2)N(C(=O)[C@@H](Cc2ccccc2)NCC(=O)O)C1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F2 P00734 12/20 0.49
PROC P04070 5/20 0.49
MC4R P32245 5/20 0.44
MC3R P41968 5/20 0.44
TMPRSS11D O60235 1/20 0.44

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
SCHEMBL7104999 1.00 F2 (0.49) F2PROCMC4RMC3RTMPRSS11D
SCHEMBL23794105 0.83 F2 (0.58) F2PROCTMPRSS11D
SCHEMBL7107381 0.81 F2 (0.66) F2PROCTMPRSS11D
Hydrochloric Acid SCHEMBL9228058 0.80 F2 (0.65) F2PROCTMPRSS11D
SCHEMBL23454399 0.79 F2 (0.50) F2PROCMC4RMC3RTMPRSS11D
SCHEMBL23454401 0.79 F2 (0.50) F2PROCMC4RMC3RTMPRSS11D
SCHEMBL23479590 0.79 F2 (0.48) F2PROCMC4RMC3RTMPRSS11D
SCHEMBL7108693 0.78 F2 (0.63) F2PROC
SCHEMBL7108692 0.78 F2 (0.63) F2PROC
SCHEMBL23793680 0.76 F2 (0.56) F2PROCTMPRSS11D

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