SCHEMBL11149805

SCHEMBL11149805

CC(C)C[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@H](C=O)CCCNC(=N)N

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 13/20 0.39
▸ NPY1R P25929 9/20 0.39
▸ NPY5R Q15761 8/20 0.39
▸ NPY2R P49146 5/20 0.39
▸ HDAC3 O15379 2/20 0.38
▸ HDAC1 Q13547 2/20 0.38
▸ HDAC2 Q92769 2/20 0.38
▸ HDAC10 Q969S8 2/20 0.38
▸ HDAC11 Q96DB2 2/20 0.38
▸ HDAC8 Q9BY41 2/20 0.38
▸ HDAC6 Q9UBN7 2/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ HDAC7 Q8WUI4 1/20 0.38
▸ HDAC9 Q9UKV0 1/20 0.38
▸ HDAC5 Q9UQL6 1/20 0.38
▸ APLNR P35414 3/20 0.36

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
Hydrochloric Acid SCHEMBL11136863 0.99 NPY4R (0.39) NPY4RNPY1RNPY5RNPY2RHDAC3
SCHEMBL10935464 0.94 APLNR (0.42) NPY4RNPY1RNPY5RNPY2RAPLNR
SCHEMBL11143974 0.84 PRCP (0.39) NPY4RNPY1RNPY5RNPY2R
Hydrochloric Acid SCHEMBL11141454 0.83 NPY4R (0.41) NPY4RNPY1RNPY5RNPY2R
SCHEMBL11143021 0.83 NPY4R (0.40) NPY4RNPY1RNPY5RNPY2R
SCHEMBL2196378 0.81 NPY4R (0.42) NPY4RNPY1RNPY5RNPY2RHDAC3
Hydrochloric Acid SCHEMBL11141954 0.81 SMN1; SMN2 (0.42) NPY4RNPY1RNPY5RNPY2R
SCHEMBL11576691 0.79 HDAC3 (0.41) NPY4RNPY1RNPY5RNPY2RHDAC3
SCHEMBL23300533 0.79 HDAC3 (0.42) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL29776697 0.79 HDAC3 (0.42) HDAC3HDAC1HDAC2HDAC10HDAC11

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-4401594-A PROTEOLYTIC ENZYME INHIBIJTORS; CARDIOVASCULAR AND MUSCULAR DISORDERS NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1983-08-30 — — US claimed
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