SCHEMBL7102911

SCHEMBL7102911

N=C(N)c1cccc(CN2CCC[C@H]2C(=O)NC(=O)[C@H](N)Cc2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2 P00734 10/20 0.53
NPSR1 Q6W5P4 1/20 0.46
SPHK1 Q9NYA1 1/20 0.43
CCR4 P51679 1/20 0.43
ACE P12821 1/20 0.43
F10 P00742 5/20 0.42
PRSS1 P07477 4/20 0.42
HPN P05981 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
HGFAC Q04756 1/20 0.42
ST14 Q9Y5Y6 1/20 0.42

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
SCHEMBL7148741 0.91 F2 (0.61) F2NPSR1SPHK1CCR4ACE
Hydrochloric Acid SCHEMBL7147488 0.90 F2 (0.63) F2NPSR1SPHK1CCR4ACE
SCHEMBL7101554 0.87 F2 (0.48) F2NPSR1SPHK1CCR4ACE
SCHEMBL7105056 0.85 F2 (0.46) F2F10HPNHGFACST14
SCHEMBL7102501 0.84 F2 (0.49) F2NPSR1SPHK1CCR4ACE
SCHEMBL7107001 0.82 CCR4 (0.49) F2NPSR1SPHK1CCR4ACE
SCHEMBL7107383 0.78 F2 (0.55) F2NPSR1SPHK1CCR4ACE
Hydrochloric Acid SCHEMBL6920199 0.77 ACE (0.46) F2NPSR1CCR4ACE
SCHEMBL7102567 0.77 F2 (0.45) F2F10HPNHGFACST14
SCHEMBL7104974 0.77 ALDH1A1 (0.50) F2NPSR1ACE

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