SCHEMBL27335224

SCHEMBL27335224

CCC(C)C(N)C(=O)NC(CCCNC(=N)N)C(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 14/20 0.48
▸ NPY1R P25929 9/20 0.48
▸ NPY5R Q15761 8/20 0.39
▸ NPY2R P49146 5/20 0.39
▸ TSHR P16473 1/20 0.35
▸ FOLH1 Q04609 1/20 0.35

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
SCHEMBL27335222 1.00 NPY4R (0.48) NPY4RNPY1RNPY5RNPY2RTSHR
SCHEMBL30644785 0.89 NPY4R (0.45) NPY4RNPY1RNPY5RNPY2R
SCHEMBL27732271 0.88 NPY4R (0.40) NPY4RNPY1RNPY5RNPY2R
SCHEMBL9614927 0.88 NPY4R (0.40) NPY4RNPY1RNPY5RNPY2R
SCHEMBL15011349 0.88 NPY4R (0.40) NPY4RNPY1RNPY5RNPY2R
SCHEMBL12655761 0.86 NPY4R (0.40) NPY4RNPY1RNPY5RNPY2R
SCHEMBL27431216 0.86 NPY4R (0.52) NPY4RNPY1RNPY5RNPY2RTSHR
SCHEMBL27431217 0.86 NPY4R (0.52) NPY4RNPY1RNPY5RNPY2RTSHR
SCHEMBL30111320 0.85 NPY4R (0.43) NPY4RNPY1RNPY5RNPY2R
SCHEMBL17015152 0.84 NPY4R (0.50) NPY4RNPY1RNPY5RNPY2RTSHR

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
CN-1062536-A Retroviral protease inhibitors from 3-chloro-2-chloromethyl-1-propylene derived AMERICAN CYANAMID CO (US) 1992-07-08 — — CN disclosed
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