Sugi Predict

Sugi Predict / Compounds / SCHEMBL29937169

SCHEMBL29937169

SCHEMBL29937169

Cc1ccc(-c2noc(-c3ccc(NC(=O)C4CC(=O)N(Cc5cccnc5)C4)cc3)n2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ RXFP3 Q9NSD7 18/20 1.00
▸ TMEM97 Q5BJF2 1/20 0.60
▸ MAPT P10636 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52

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
SCHEMBL27001838 1.00 RXFP3 (1.00) RXFP3TMEM97MAPTALDH1A1
SCHEMBL29936943 1.00 RXFP3 (1.00) RXFP3TMEM97MAPTALDH1A1
SCHEMBL27001806 1.00 RXFP3 (1.00) RXFP3TMEM97MAPTALDH1A1
SCHEMBL27001795 0.94 RXFP3 (1.00) RXFP3TMEM97MAPTALDH1A1
SCHEMBL27001810 0.94 RXFP3 (0.91) RXFP3TMEM97MAPTALDH1A1
SCHEMBL29936647 0.94 RXFP3 (1.00) RXFP3TMEM97MAPTALDH1A1
SCHEMBL29937054 0.94 RXFP3 (0.91) RXFP3TMEM97MAPTALDH1A1
SCHEMBL27001830 0.93 RXFP3 (1.00) RXFP3TMEM97MAPTALDH1A1
SCHEMBL29936697 0.93 RXFP3 (1.00) RXFP3TMEM97MAPTALDH1A1
SCHEMBL29936644 0.93 RXFP3 (1.00) RXFP3TMEM97MAPTALDH1A1

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-4304630-A1 SMALL MOLECULE ANTAGONISTS FOR THE RELAXIN-3/RXFP3 SYSTEM Research Triangle Institute (US) 2024-01-17 — — EP disclosed
WO-2022192126-A1 SMALL MOLECULE ANTAGONISTS FOR THE RELAXIN-3/RXFP3 SYSTEM RESEARCH TRIANGLE INSTITUTE (US) 2022-09-15 — — WO disclosed
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