SCHEMBL7951787

SCHEMBL7951787

CC(C)C(C(=O)N[C@H](C(=O)NC(=O)[C@@H]1CCCN1C(C(=O)C(F)(F)C(F)(F)F)C(C)C)C(C)C)C(=O)N1CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ELANE P08246 11/20 0.45
CTSG P08311 1/20 0.34
CNR2 P34972 1/20 0.30
TSHR P16473 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
SCHEMBL7962700 0.87 ELANE (0.49) ELANECTSGTSHR
SCHEMBL7370365 0.84 ELANE (0.60) ELANECTSG
SCHEMBL7952685 0.83 ELANE (0.62) ELANECTSGTSHR
SCHEMBL7963862 0.82 ELANE (0.58) ELANECTSGTSHR
SCHEMBL6744559 0.82 ELANE (0.58) ELANECTSG
SCHEMBL7860575 0.82 ELANE (0.41) ELANE
SCHEMBL7964090 0.82 ELANE (0.51) ELANECTSG
SCHEMBL7960590 0.80 ELANE (0.40) ELANECTSG
SCHEMBL7951785 0.80 ELANE (0.69) ELANECTSG
SCHEMBL7960490 0.79 ELANE (0.51) ELANECTSG

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
US-6265381-B1 MORPHOLINOUREA AND RELATED DERIVATIVES OF PENTAFLUOROETHYL PEPTIDES MERRELL PHARMACEUTICALS, INC. 2001-07-24 US disclosed