SCHEMBL17870836

SCHEMBL17870836

CN(CCn1c(=O)c(Br)cn(CC(=O)O)c1=O)C(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 1/20 0.34
FPR3 P25089 1/20 0.32
FPR2 P25090 1/20 0.32
TRPV4 Q9HBA0 1/20 0.30
BRD4 O60885 1/20 0.30
LMNA P02545 1/20 0.30
ADORA2B P29275 1/20 0.30

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
SCHEMBL28643664 0.89 CDK9 (0.35) CDK9FPR3FPR2
SCHEMBL19873714 0.85 BRD4 (0.31) FPR3FPR2BRD4
SCHEMBL17870770 0.83 CDK9 (0.41) CDK9LMNAADORA2B
SCHEMBL19873953 0.79 BRD4 (0.36) TRPV4BRD4
SCHEMBL21900253 0.79 CDK9 (0.37) CDK9
SCHEMBL30178556 0.79 CNR2 (0.39) TRPV4
SCHEMBL30178426 0.78 GNRHR (0.35) TRPV4BRD4
SCHEMBL19873999 0.78 GNRHR (0.35) TRPV4BRD4
SCHEMBL17870719 0.77 GNRHR (0.38) TRPV4BRD4
SCHEMBL30178637 0.77 GNRHR (0.38) TRPV4BRD4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3708566-B1 NOVEL HETEROCYCLIC COMPOUNDS AND THE USE THEREOF IN MEDICINE AND IN COSMETICS GALDERMA RES & DEV (FR) 2023-02-08 EP disclosed
EP-3708566-A1 NOVEL HETEROCYCLIC COMPOUNDS AND THE USE THEREOF IN MEDICINE AND IN COSMETICS Galderma Research & Development (FR) 2020-09-16 EP disclosed
EP-3237403-B1 NOVEL HETEROCYCLIC COMPOUNDS AND THE USE THEREOF IN MEDICINE AND IN COSMETICS GALDERMA RES & DEV (FR) 2020-05-06 EP disclosed
EP-3237403-A1 NOVEL HETEROCYCLIC COMPOUNDS AND THE USE THEREOF IN MEDICINE AND IN COSMETICS Galderma Research & Development (FR) 2017-11-01 EP disclosed
WO-2016102882-A1 NOVEL HETEROCYCLIC COMPOUNDS AND THE USE THEREOF IN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2016-06-30 WO disclosed