SCHEMBL6979512

SCHEMBL6979512

O=C1CCCCC(CC2CC(C(F)(F)F)NN2c2ccccc2)N1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSD P07339 2/20 0.32
ALOX5 P09917 1/20 0.32
PDK2 Q15119 3/20 0.31
KCNA5 P22460 1/20 0.31

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
SCHEMBL6974395 0.75 ALOX5 (0.36) CTSDALOX5KCNA5
SCHEMBL8181137 0.75 FFAR1 (0.34) CTSDALOX5
SCHEMBL6980757 0.70 MEN1 (0.39)
SCHEMBL8175125 0.70 KDM4E (0.33) CTSDALOX5KCNA5
SCHEMBL4019894 0.67 CRBN (0.36) CTSDKCNA5
SCHEMBL6976465 0.66 PTGS1 (0.41) CTSD
SCHEMBL23459341 0.65 CTSD (0.58) CTSD
SCHEMBL6970123 0.65 CTSD (0.58) CTSD
SCHEMBL6967526 0.65 MPO (0.38) CTSD
SCHEMBL6967305 0.65 OPRL1 (0.36) CTSD

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-0821674-B1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS SEARLE & CO (US) 2003-08-06 EP disclosed
US-6011028-A Cyclic amidino agents useful as nitric oxide synthase inhibitors G.D. SEARLE & CO. (US) 2000-01-04 US disclosed
EP-0821674-A1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1998-02-04 EP disclosed
WO-1996033175-A1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1996-10-24 WO disclosed