SCHEMBL19466303

SCHEMBL19466303

CC(=O)N[C@@H](C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(CC(C)C)cc1)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FURIN P09958 3/20 0.42
▸ TRPV1 Q8NER1 4/20 0.42
▸ HTT P42858 1/20 0.41
▸ KISS1R Q969F8 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ NPY4R P50391 4/20 0.40
▸ NPY1R P25929 3/20 0.40
▸ NPY2R P49146 3/20 0.40
▸ NPY5R Q15761 3/20 0.40
▸ GAA P10253 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ CRHBP P24387 1/20 0.40
▸ CRHR2 Q13324 1/20 0.40
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA4 P22748 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL19466325 1.00 FURIN (0.42) FURINTRPV1HTTKISS1RSMN1; SMN2
SCHEMBL16847753 0.91 FURIN (0.43) FURINHTTSMN1; SMN2CA1CA2
SCHEMBL22064590 0.91 FURIN (0.51) FURINHTTSMN1; SMN2MEN1KMT2A
SCHEMBL22336348 0.89 TRPV1 (0.44) FURINTRPV1HTTNPY4RNPY1R
SCHEMBL22336351 0.89 TRPV1 (0.44) FURINTRPV1HTTNPY4RNPY1R
SCHEMBL26431147 0.89 HTT (0.46) FURINHTTSMN1; SMN2MAPTCA1
SCHEMBL23815045 0.89 CHRND (0.44) TRPV1NPY4RNPY1RNPY2RNPY5R
SCHEMBL19604294 0.88 FURIN (0.41) FURINHTTKISS1RSMN1; SMN2NPY4R
SCHEMBL23344152 0.88 FURIN (0.50) FURINHTTSMN1; SMN2CA1CA2
SCHEMBL22266602 0.88 ALB (0.43) FURINHTTSMN1; SMN2CA1CA2

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-9790253-B2 OSW-1 analogs and conjugates, and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-10-17 — — US disclosed
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