SCHEMBL24872282

SCHEMBL24872282

C#CCCCC(=O)N[C@H](C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(CO)cc1)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FURIN P09958 4/20 0.39
▸ NPY5R Q15761 4/20 0.37
▸ NPY4R P50391 4/20 0.37
▸ NPY1R P25929 3/20 0.37
▸ NPY2R P49146 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC7 Q8WUI4 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC10 Q969S8 1/20 0.36
▸ HDAC11 Q96DB2 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ HDAC9 Q9UKV0 1/20 0.36
▸ HDAC5 Q9UQL6 1/20 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
SCHEMBL14978855 0.89 NMT2 (0.45) FURINNPY5RNPY4RNPY1RNPY2R
SCHEMBL15692124 0.89 NMT2 (0.45) FURINNPY5RNPY4RNPY1RNPY2R
SCHEMBL23355149 0.89 CTSL (0.42) FURINNPY5RNPY4RNPY1RNPY2R
SCHEMBL24270749 0.88 FURIN (0.43) FURINHTT
SCHEMBL20839656 0.88 NPY5R (0.42) FURINNPY5RNPY4RNPY1RNPY2R
SCHEMBL17312902 0.88 FURIN (0.41) FURINNPY5RNPY4RNPY1RNPY2R
SCHEMBL21607790 0.87 FURIN (0.42) FURINNPY5RNPY4RNPY1RNPY2R
SCHEMBL26223125 0.87 FURIN (0.42) FURINNPY5RNPY4RNPY1RNPY2R
SCHEMBL20729885 0.86 HTT (0.39) FURINHTTSMN1; SMN2KMT2A
SCHEMBL23943639 0.86 FURIN (0.44) FURINNPY5RNPY4RNPY1RNPY2R

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
WO-2023283595-A2 INTEGRIN TARGETING LIGANDS FOR OCULAR DELIVERY OF RNAI COMPOUNDS ALNYLAM PHARMACEUTICALS, INC. (US) 2023-01-12 — — WO disclosed
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