SCHEMBL30178393

SCHEMBL30178393

Cn1cc(-c2cccc(F)c2Cl)c(=O)n(CCC(=O)O)c1=O

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GNRHR P30968 7/20 0.42
▸ CYP3A4 P08684 5/20 0.42
▸ MAPT P10636 1/20 0.39
▸ CMA1 P23946 5/20 0.37
▸ CTSG P08311 2/20 0.37
▸ APEX1 P27695 1/20 0.36
▸ P2RX3 P56373 2/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ BRS3 P32247 1/20 0.34

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
SCHEMBL17870751 0.82 GNRHR (0.44) GNRHRCYP3A4MAPT
SCHEMBL30178407 0.82 GNRHR (0.44) GNRHRCYP3A4MAPT
SCHEMBL21900258 0.79 APEX1 (0.42) GNRHRCYP3A4MAPTCMA1APEX1
SCHEMBL19873689 0.78 GNRHR (0.44) GNRHRCYP3A4MEN1KMT2A
SCHEMBL19873721 0.76 GNRHR (0.47) GNRHRCYP3A4
SCHEMBL30178392 0.76 GNRHR (0.44) GNRHRCYP3A4
SCHEMBL17870829 0.76 GNRHR (0.42) GNRHRCYP3A4MEN1KMT2A
SCHEMBL30178400 0.76 GNRHR (0.42) GNRHRCYP3A4MEN1KMT2A
SCHEMBL28663465 0.76 GNRHR (0.41) GNRHRCYP3A4MEN1KMT2A
SCHEMBL19873767 0.75 GNRHR (0.45) 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 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
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