SCHEMBL21781952

SCHEMBL21781952

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

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GNPAT O15228 2/20 0.35
FURIN P09958 5/20 0.33
KISS1R Q969F8 1/20 0.33
SIRT5 Q9NXA8 2/20 0.32

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
SCHEMBL20375787 0.81 FURIN (0.36) GNPATFURINKISS1RSIRT5
SCHEMBL20793386 0.79 KISS1R (0.34) GNPATFURINKISS1RSIRT5
SCHEMBL22268958 0.79 KISS1R (0.34) GNPATFURINKISS1RSIRT5
SCHEMBL22919489 0.79 KISS1R (0.35) KISS1R
SCHEMBL22828548 0.75 SIRT5 (0.34) GNPATSIRT5
SCHEMBL23054352 0.71 KISS1R (0.49) GNPATKISS1RSIRT5
SCHEMBL21626605 0.71 KISS1R (0.49) GNPATKISS1RSIRT5
SCHEMBL21781921 0.70 SIRT5 (0.37) GNPATKISS1RSIRT5
SCHEMBL24155380 0.68 KISS1R (0.45) GNPATKISS1RSIRT5
SCHEMBL24155383 0.68 KISS1R (0.45) GNPATKISS1RSIRT5

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
EP-3617221-A1 CYTOTOXIN AND CONJUGATE, USES OF SAME, AND PREPARATION METHOD THEREFOR Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2020-03-04 EP disclosed