SCHEMBL7456341

SCHEMBL7456341

CCc1ccccc1N.CCc1ccccc1Nc1nc(Cl)c(C)n(CC(=O)OCc2ccccc2)c1=O

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 9/20 0.48
F2 P00734 2/20 0.44
PRSS1 P07477 1/20 0.44
F7 P08709 1/20 0.42
F3 P13726 1/20 0.42
TP53 P04637 1/20 0.41
PLAU P00749 4/20 0.40
P2RX7 Q99572 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL3247710 0.95 P2RX7 (0.43) TPSAB1F2PRSS1F7F3
SCHEMBL7140320 0.82 F2 (0.47) TPSAB1F2PRSS1F7F3
SCHEMBL3242831 0.82 F2 (0.44) TPSAB1F2PRSS1F7F3
SCHEMBL3247707 0.78 F2 (0.60) TPSAB1F2PRSS1F7F3
SCHEMBL3240576 0.78 MEN1 (0.44) TP53PLAUMEN1KMT2A
SCHEMBL3266642 0.75 F2 (0.53) TPSAB1F2PRSS1F7F3
SCHEMBL5885589 0.75 F2 (0.59) TPSAB1F2PRSS1F7F3
SCHEMBL7134782 0.74 P2RX7 (0.47) TPSAB1F2PRSS1F7F3
SCHEMBL8205180 0.74 TPSAB1 (0.52) TPSAB1F2PRSS1F7F3
SCHEMBL7912621 0.74 TPSAB1 (0.61) TPSAB1F2PRSS1F7F3

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-0969840-A4 THROMBIN INHIBITORS MERCK & CO INC (US) 2001-02-28 EP disclosed
EP-0969840-A1 THROMBIN INHIBITORS Merck & Co., Inc. (US) 2000-01-12 EP disclosed
WO-1998042342-A1 THROMBIN INHIBITORS MERCK & CO., INC. (US) 1998-10-01 WO disclosed