SCHEMBL7307429

SCHEMBL7307429

Cc1c(Cl)nc(NCCc2cccc(OC[C@H]3CCCN3C(=O)O)c2)c(=O)n1CC(=O)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 11/20 0.45
F2 P00734 5/20 0.42
F7 P08709 4/20 0.42
F3 P13726 4/20 0.42
PRSS1 P07477 1/20 0.42
SPHK2 Q9NRA0 2/20 0.37
SPHK1 Q9NYA1 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA5 P30532 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNA4 P43681 1/20 0.36

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
SCHEMBL7027708 0.85 TPSAB1 (0.43) TPSAB1F2F7F3PRSS1
SCHEMBL7020326 0.85 TPSAB1 (0.43) TPSAB1F2F7F3PRSS1
SCHEMBL3247707 0.80 F2 (0.60) TPSAB1F2F7F3PRSS1
SCHEMBL7449497 0.79 TPSAB1 (0.57) TPSAB1F2F7F3PRSS1
SCHEMBL7020450 0.78 TPSAB1 (0.54) TPSAB1F2F7F3PRSS1
SCHEMBL7024770 0.78 TPSAB1 (0.50) TPSAB1F2F7F3PRSS1
SCHEMBL7021593 0.78 TPSAB1 (0.53) TPSAB1F2F7F3PRSS1
SCHEMBL5885589 0.77 F2 (0.59) TPSAB1F2F7F3PRSS1
SCHEMBL7403728 0.77 TPSAB1 (0.49) TPSAB1F2F7F3PRSS1
SCHEMBL7021064 0.76 PRMT5 (0.46) TPSAB1F2F7F3PRSS1

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
US-6417203-B1 HETEROCYCLIC AMIDES PFIZER INC. 2002-07-09 US disclosed
US-6180627-B1 INDOLE, INDAZOLE, BENZOTRIAZOLE AND BENZIMIDAZOLE DERIVATIVES PFIZER INC. 2001-01-30 US disclosed
EP-0997474-A1 Antithrombotic agents PFIZER INC. (US) 2000-05-03 EP disclosed