SCHEMBL6604658

SCHEMBL6604658

Nc1ccc(CCCC(N)C(=O)N2CCC(=C(F)F)CC2)nc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.53
F10 P00742 1/20 0.53
DPP7 Q9UHL4 12/20 0.34
DPP9 Q86TI2 3/20 0.34
DPP8 Q6V1X1 3/20 0.34
DPP4 P27487 3/20 0.31
AKT1 P31749 1/20 0.31
NLN Q9BYT8 1/20 0.30

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
SCHEMBL6604650 1.00 F2 (0.53) F2F10DPP7DPP9DPP8
Hydrochloric Acid SCHEMBL6543162 0.99 F2 (0.55) F2F10DPP7DPP9DPP8
Hydrochloric Acid SCHEMBL6543158 0.99 F2 (0.55) F2F10DPP7DPP9DPP8
SCHEMBL6606544 0.93 F2 (0.49) F2F10DPP7DPP9DPP8
SCHEMBL6606548 0.93 F2 (0.49) F2F10DPP7DPP9DPP8
Hydrochloric Acid SCHEMBL6543300 0.92 F2 (0.50) F2F10DPP7DPP8DPP4
Hydrochloric Acid SCHEMBL6543295 0.92 F2 (0.50) F2F10DPP7DPP8DPP4
SCHEMBL6605008 0.87 F2 (0.41) F2F10DPP7DPP9DPP8
SCHEMBL6605014 0.87 F2 (0.41) F2F10DPP7DPP9DPP8
Hydrochloric Acid SCHEMBL6543476 0.86 F2 (0.43) F2F10DPP7DPP9DPP8

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-1268469-B1 N-(HETEROCYCLYL)BENZENE OR PYRIDINE SULPHONAMIDES AS ANTITHROMBOTIC AGENTS AND ANTICOAGULANTS SANOFI SYNTHELABO (FR) 2004-06-16 EP disclosed
EP-1268469-A1 N-(HETEROCYCLYL)BENZENE OR PYRIDINE SULPHONAMIDES AS ANTITHROMBOTIC AGENTS AND ANTICOAGULANTS SANOFI-SYNTHELABO (FR) 2003-01-02 EP disclosed
WO-2001070736-A1 N-(HETEROCYCLYL)BENZENE OR PYRIDINE SULPHONAMIDES AS ANTITHROMBOTIC AGENTS AND ANTICOAGULANTS SANOFI-SYNTHELABO (FR) 2001-09-27 WO disclosed