SCHEMBL17870720

SCHEMBL17870720

CC(C)(C)OC(=O)CNCCn1c(=O)c(-c2cccc(F)c2Cl)cn(CC(=O)O)c1=O

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 16/20 0.41
CYP3A4 P08684 12/20 0.41
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HIF1A Q16665 1/20 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
SCHEMBL17870723 0.88 GNRHR (0.41) GNRHRCYP3A4
SCHEMBL30178348 0.88 GNRHR (0.41) GNRHRCYP3A4
SCHEMBL28660744 0.82 GNRHR (0.40) GNRHRCYP3A4
SCHEMBL30178637 0.82 GNRHR (0.38) GNRHRCYP3A4
SCHEMBL17870719 0.82 GNRHR (0.38) GNRHRCYP3A4
SCHEMBL17870801 0.80 IDO1 (0.33) HIF1A
SCHEMBL19873689 0.80 GNRHR (0.44) GNRHRCYP3A4MEN1KMT2A
SCHEMBL19873682 0.80 GNRHR (0.44) GNRHRCYP3A4
SCHEMBL30178392 0.80 GNRHR (0.44) GNRHRCYP3A4
SCHEMBL30178350 0.79 DRD2 (0.44) GNRHRCYP3A4MEN1KMT2A

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