SCHEMBL6606548

SCHEMBL6606548

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

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.49
F10 P00742 1/20 0.49
DPP7 Q9UHL4 10/20 0.34
HRH2 P25021 2/20 0.32
HRH1 P35367 2/20 0.32
DPP4 P27487 2/20 0.32
DPP8 Q6V1X1 2/20 0.32
AKT1 P31749 2/20 0.32
NLN Q9BYT8 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
DPP9 Q86TI2 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
SCHEMBL6606544 1.00 F2 (0.49) F2F10DPP7HRH2HRH1
Hydrochloric Acid SCHEMBL6543300 0.99 F2 (0.50) F2F10DPP7HRH2HRH1
Hydrochloric Acid SCHEMBL6543295 0.99 F2 (0.50) F2F10DPP7HRH2HRH1
SCHEMBL6604650 0.93 F2 (0.53) F2F10DPP7DPP4DPP8
SCHEMBL6604658 0.93 F2 (0.53) F2F10DPP7DPP4DPP8
Hydrochloric Acid SCHEMBL6543158 0.92 F2 (0.55) F2F10DPP7DPP4DPP8
Hydrochloric Acid SCHEMBL6543162 0.92 F2 (0.55) F2F10DPP7DPP4DPP8
SCHEMBL7137941 0.82 F2 (0.50) F2F10
SCHEMBL7137947 0.82 F2 (0.50) F2F10
SCHEMBL6543946 0.80 F2 (0.60) F2F10

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-1268469-B1 N-(HETEROCYCLYL)BENZENE OR PYRIDINE SULPHONAMIDES AS ANTITHROMBOTIC AGENTS AND ANTICOAGULANTS SANOFI SYNTHELABO (FR) 2004-06-16 EP disclosed