SCHEMBL22138372

SCHEMBL22138372

CCc1ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCCCCNC)C(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FURIN P09958 2/20 0.46
NPY5R Q15761 6/20 0.41
NPY4R P50391 6/20 0.41
NPY1R P25929 5/20 0.41
NPY2R P49146 3/20 0.41
HTT P42858 1/20 0.41
ITGB1 P05556 1/20 0.40
ITGA5 P08648 1/20 0.40
ROCK2 O75116 1/20 0.40
SIRT2 Q8IXJ6 7/20 0.38
SIRT1 Q96EB6 5/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 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
SCHEMBL21569760 0.93 FURIN (0.47) FURINNPY5RNPY4RNPY1RNPY2R
SCHEMBL24829476 0.93 FURIN (0.47) FURINNPY5RNPY4RNPY1RNPY2R
SCHEMBL19591557 0.90 FURIN (0.49) FURINHTTSIRT2SIRT1
SCHEMBL14887317 0.89 SIRT2 (0.43) FURINNPY5RNPY4RNPY1RNPY2R
SCHEMBL18758412 0.88 SIRT5 (0.42) FURINNPY5RNPY4RNPY1RNPY2R
SCHEMBL17752434 0.88 SIRT5 (0.42) FURINNPY5RNPY4RNPY1RNPY2R
SCHEMBL22138373 0.88 FURIN (0.45) FURINNPY5RNPY4RNPY1RNPY2R
SCHEMBL16091795 0.88 SIRT5 (0.42) FURINNPY5RNPY4RNPY1RNPY2R
SCHEMBL23385514 0.88 NPY5R (0.38) FURINNPY5RNPY4RNPY1RNPY2R
SCHEMBL19370636 0.88 SIRT5 (0.42) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021211984-A1 DIELS-ALDER CONJUGATION METHODS REGENERON PHARMACEUTICALS, INC. (US) 2021-10-21 WO disclosed
WO-2020132483-A1 RIFAMYCIN ANALOGS AND ANTIBODY-DRUG CONJUGATES THEREOF REGENERON PHARMACEUTICALS, INC. (US) 2020-06-25 WO disclosed