SCHEMBL30178637

SCHEMBL30178637

CN(CCn1c(=O)c(-c2cccc(F)c2Cl)cn(CC(=O)O)c1=O)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 17/20 0.38
CYP3A4 P08684 10/20 0.38
BRD4 O60885 1/20 0.34
PDK2 Q15119 1/20 0.34
TRPV4 Q9HBA0 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
SCHEMBL17870719 1.00 GNRHR (0.38) GNRHRCYP3A4BRD4PDK2TRPV4
SCHEMBL28645644 0.91 GNRHR (0.37) GNRHRCYP3A4BRD4PDK2TRPV4
SCHEMBL19873999 0.91 GNRHR (0.35) GNRHRCYP3A4BRD4PDK2TRPV4
SCHEMBL30178426 0.91 GNRHR (0.35) GNRHRCYP3A4BRD4PDK2TRPV4
SCHEMBL30178380 0.89 GNRHR (0.36) GNRHRCYP3A4BRD4PDK2TRPV4
SCHEMBL19874027 0.89 GNRHR (0.36) GNRHRCYP3A4BRD4PDK2TRPV4
SCHEMBL19873953 0.85 BRD4 (0.36) BRD4PDK2TRPV4
SCHEMBL17870723 0.83 GNRHR (0.41) GNRHRCYP3A4
SCHEMBL30178348 0.83 GNRHR (0.41) GNRHRCYP3A4
SCHEMBL17870720 0.82 GNRHR (0.41) GNRHRCYP3A4

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-3708566-B1 NOVEL HETEROCYCLIC COMPOUNDS AND THE USE THEREOF IN MEDICINE AND IN COSMETICS GALDERMA RES & DEV (FR) 2023-02-08 EP disclosed