SCHEMBL7583689

SCHEMBL7583689

NCN1CCC(C(F)(F)F)C1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.37
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
HTR7 P34969 1/20 0.31
MAP4K4 O95819 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
SCHEMBL13800041 0.78 HSD11B1 (0.37) HSD11B1MEN1GAAKMT2AHTR7
SCHEMBL17778678 0.78 HSD11B1 (0.37) HSD11B1MEN1GAAKMT2AHTR7
SCHEMBL14534022 0.78 HSD11B1 (0.37) HSD11B1MEN1GAAKMT2AHTR7
SCHEMBL18976755 0.75 DRD2 (0.39) HTR7
SCHEMBL597482 0.74 ALOX15 (0.50)
SCHEMBL16219825 0.72 HTR7 (0.41) HTR7
SCHEMBL2726150 0.72
SCHEMBL2209216 0.71 KEAP1 (0.45)
SCHEMBL18238948 0.70 POLB (0.33) MAP4K4
SCHEMBL21231128 0.70 POLB (0.33) MAP4K4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1244434-A2 USE OF CHEMOTHERAPEUTIC AGENTS Schulz, Hans-Herrmann (DE) 2002-10-02 EP disclosed
WO-2001045679-A2 USE OF CHEMOTHERAPEUTIC AGENTS FOR TOPICAL TREATMENT SCHULZ HANS HERRMANN (DE) 2001-06-28 WO disclosed