SCHEMBL19953591

SCHEMBL19953591

C[C@@H](Cc1ccc(OCCCc2ccc3c(n2)NCCC3)cc1)NC(=O)c1cccnc1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 19/20 0.55
ITGB3 P05106 13/20 0.55
ITGB1 P05556 3/20 0.55
ITGA5 P08648 2/20 0.55
ITGB6 P18564 10/20 0.54
ITGB5 P18084 5/20 0.54
ITGA2B P08514 1/20 0.54
ITGB8 P26012 1/20 0.45

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
SCHEMBL20024846 0.90 ITGAV (0.68) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL20024940 0.90 ITGAV (0.68) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL19953686 0.85 ITGAV (0.75) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL19953685 0.85 ITGAV (0.75) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL19953599 0.82 ITGAV (0.73) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL19953598 0.82 ITGAV (0.73) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL20025245 0.82 ITGAV (0.64) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL20025109 0.80 ITGAV (0.70) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL21812281 0.80 ITGAV (0.70) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL20025321 0.80 ITGAV (0.70) ITGAVITGB3ITGB1ITGA5ITGB6

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
EP-3509590-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE Pliant Therapeutics, Inc. (US) 2019-07-17 EP disclosed
WO-2018049068-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. (US) 2018-03-15 WO disclosed