SCHEMBL7148741

SCHEMBL7148741

N=C(N)c1ccc(CN2CCC[C@H]2C(=O)NC(=O)[C@H](N)Cc2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F2 P00734 14/20 0.61
NPSR1 Q6W5P4 1/20 0.48
SPHK1 Q9NYA1 1/20 0.45
CCR4 P51679 1/20 0.44
ACE P12821 1/20 0.44
HDAC1 Q13547 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC3 O15379 1/20 0.43

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 SCHEMBL7147488 0.99 F2 (0.63) F2NPSR1SPHK1CCR4ACE
SCHEMBL7102911 0.91 F2 (0.53) F2NPSR1SPHK1CCR4ACE
SCHEMBL7107001 0.88 CCR4 (0.49) F2NPSR1SPHK1CCR4ACE
SCHEMBL7102501 0.88 F2 (0.49) F2NPSR1SPHK1CCR4ACE
SCHEMBL7107383 0.86 F2 (0.55) F2NPSR1SPHK1CCR4ACE
Hydrochloric Acid SCHEMBL9228074 0.86 F2 (0.56) F2NPSR1SPHK1CCR4ACE
SCHEMBL7106036 0.84 F2 (0.53) F2NPSR1
Hydrochloric Acid SCHEMBL7140906 0.83 F2 (0.54) F2
SCHEMBL7101554 0.82 F2 (0.48) F2NPSR1SPHK1CCR4ACE
SCHEMBL7139834 0.81 F2 (0.49) F2NPSR1SPHK1CCR4ACE

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
EP-1361212-A1 Peptide derivatives as antithrombotic agents AstraZeneca AB (SE) 2003-11-12 EP claimed
EP-0672658-A1 Antithrombotic agents ELI LILLY AND COMPANY (US) 1995-09-20 EP claimed
WO-1995023609-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1995-09-08 WO claimed