SCHEMBL11143330

SCHEMBL11143330

CC(C)C[C@H](NCc1cccnc1)C(=O)N[C@H](C=O)CCCNC(=N)N

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.43
▸ NPY4R P50391 12/20 0.42
▸ NPY1R P25929 9/20 0.42
▸ NPY5R Q15761 8/20 0.42
▸ NPY2R P49146 5/20 0.42
▸ RECQL P46063 1/20 0.39
▸ FES P07332 1/20 0.39
▸ RET P07949 1/20 0.39
▸ MARK3 P27448 1/20 0.39
▸ TYK2 P29597 1/20 0.39
▸ FLT4 P35916 1/20 0.39
▸ SYK P43405 1/20 0.39
▸ CLK2 P49760 1/20 0.39
▸ CLK4 Q9HAZ1 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ KISS1R Q969F8 1/20 0.38

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 SCHEMBL11142461 0.99 ALDH1A1 (0.43) ALDH1A1NPY4RNPY1RNPY5RNPY2R
Hydrochloric Acid SCHEMBL11143049 0.88 NPY4R (0.44) NPY4RNPY1RNPY5RNPY2R
Hydrochloric Acid SCHEMBL11143046 0.83 NPY4R (0.42) NPY4RNPY1RNPY5RNPY2R
Hydrochloric Acid SCHEMBL11141884 0.78 NPY4R (0.49) NPY4RNPY1RNPY5RNPY2RKISS1R
Hydrochloric Acid SCHEMBL11141894 0.77 NPY4R (0.45) NPY4RNPY1RNPY5RNPY2RKMT2A
Hydrochloric Acid SCHEMBL11145577 0.76 PSMB1 (0.61) —
Hydrochloric Acid SCHEMBL11139191 0.76 CTSK (0.45) NPY4RNPY1RNPY5RNPY2RKISS1R
Hydrochloric Acid SCHEMBL11143298 0.76 CTSL (0.50) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL3308386 0.76 NPY4R (0.45) ALDH1A1NPY4RNPY1RNPY5RNPY2R
SCHEMBL12526786 0.76 NPY4R (0.43) NPY4RNPY1RNPY5RNPY2R

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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