SCHEMBL28638744

SCHEMBL28638744

COC(=O)CCn1c(=O)c(-c2cccc(F)c2Cl)cn(C(c2ccccc2)c2ccccc2)c1=O

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GNRHR P30968 16/20 0.45
▸ CYP3A4 P08684 11/20 0.45
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CTSA P10619 1/20 0.35

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
SCHEMBL28649424 0.90 GNRHR (0.45) GNRHRCYP3A4CTSA
SCHEMBL17870751 0.89 GNRHR (0.44) GNRHRCYP3A4CTSA
SCHEMBL30178407 0.89 GNRHR (0.44) GNRHRCYP3A4CTSA
SCHEMBL19873721 0.85 GNRHR (0.47) GNRHRCYP3A4
SCHEMBL21900224 0.83 GNRHR (0.43) GNRHRCYP3A4CTSA
SCHEMBL19873886 0.83 GNRHR (0.45) GNRHRCYP3A4
SCHEMBL30178655 0.83 GNRHR (0.45) GNRHRCYP3A4
SCHEMBL19873738 0.82 GNRHR (0.45) GNRHRCYP3A4
SCHEMBL28638669 0.79 GNRHR (0.39) GNRHRCYP3A4MEN1KMT2ACTSA
SCHEMBL28639201 0.78 GAA (0.40) MEN1KMT2A

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-3708566-B1 NOVEL HETEROCYCLIC COMPOUNDS AND THE USE THEREOF IN MEDICINE AND IN COSMETICS GALDERMA RES & DEV (FR) 2023-02-08 — — EP disclosed
CN-107428744-B Novel heterocyclic compounds and their use in medicine and cosmetics 盖尔德马研究及发展公司 2021-09-24 — — CN disclosed
Send feedback