SCHEMBL7020342

SCHEMBL7020342

Cc1c(Cl)nc(N[C@@H](Cc2ccccc2)CN(C)C)c(=O)n1CC(=O)OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F2 P00734 5/20 0.40
F7 P08709 4/20 0.40
F3 P13726 4/20 0.40
PRSS1 P07477 1/20 0.40
TPSAB1 Q15661 9/20 0.40
PLAU P00749 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL7316380 0.83 F2 (0.42) F2F7F3PRSS1TPSAB1
SCHEMBL7675994 0.83 F2 (0.42) F2F7F3PRSS1TPSAB1
SCHEMBL7140320 0.82 F2 (0.47) F2F7F3PRSS1TPSAB1
SCHEMBL7316389 0.82 F2 (0.39) F2F7F3PRSS1TPSAB1
SCHEMBL7316371 0.82 F2 (0.39) F2F7F3PRSS1TPSAB1
SCHEMBL3247707 0.80 F2 (0.60) F2F7F3PRSS1TPSAB1
SCHEMBL5855365 0.80 MEN1 (0.46) F2PRSS1MEN1KMT2A
SCHEMBL5855369 0.80 MEN1 (0.46) F2PRSS1MEN1KMT2A
SCHEMBL3240576 0.80 MEN1 (0.44) PLAUMEN1KMT2A
SCHEMBL7316378 0.78 TPSAB1 (0.44) F2F7F3PRSS1TPSAB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0997474-B1 Antithrombotic agents PFIZER (US) 2003-10-29 EP disclosed
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