SCHEMBL6980592

SCHEMBL6980592

[N]C1CCCCC(CC2CC(C(F)(F)F)=NN2c2ccccc2)N1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.33
PTGS1 P23219 4/20 0.32
PTGS2 P35354 4/20 0.32
PRKCZ Q05513 1/20 0.32

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
SCHEMBL6969989 0.80 FFAR1 (0.32) FFAR1PTGS1PTGS2PRKCZ
SCHEMBL8181137 0.80 FFAR1 (0.34) FFAR1PTGS1PTGS2
SCHEMBL6976231 0.74 KDM4E (0.34)
SCHEMBL6975081 0.70 FFAR1 (0.38) FFAR1PTGS1PTGS2PRKCZ
SCHEMBL6978959 0.67 PTGS1 (0.42) PTGS1PTGS2
SCHEMBL6980522 0.67 MPO (0.39)
SCHEMBL6977100 0.67 KDM4E (0.31)
SCHEMBL29051504 0.66 PTGS1 (0.41) FFAR1PTGS1PTGS2PRKCZ
SCHEMBL6976719 0.63 POLB (0.59)
SCHEMBL6981221 0.62 POLB (0.45)

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-0821674-B1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS SEARLE & CO (US) 2003-08-06 EP claimed