SCHEMBL27045629

SCHEMBL27045629

COC(N)C1[C@@H](Cc2ccnc(N)c2)C(=O)N1C(=O)NC(C)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ F11 P03951 18/20 0.52
▸ TPSAB1 Q15661 1/20 0.44
▸ TPSD1 Q9BZJ3 1/20 0.44
▸ TPSG1 Q9NRR2 1/20 0.44
▸ CMA1 P23946 1/20 0.42

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
SCHEMBL16998247 0.88 F11 (0.54) F11TPSAB1TPSD1TPSG1
SCHEMBL20901272 0.88 F11 (0.54) F11TPSAB1TPSD1TPSG1
SCHEMBL18478438 0.88 F11 (0.54) F11TPSAB1TPSD1TPSG1
SCHEMBL3335950 0.85 F11 (0.55) F11TPSAB1TPSD1TPSG1CMA1
SCHEMBL20901311 0.85 F11 (0.56) F11TPSAB1TPSD1TPSG1
SCHEMBL24092109 0.85 F11 (0.53) F11TPSAB1TPSD1TPSG1CMA1
SCHEMBL20901314 0.85 F11 (0.53) F11TPSAB1TPSD1TPSG1CMA1
SCHEMBL16989245 0.84 F11 (0.70) F11TPSAB1TPSD1TPSG1
SCHEMBL27129861 0.84 F11 (0.70) F11TPSAB1TPSD1TPSG1
SCHEMBL18476319 0.84 F11 (0.61) F11TPSAB1TPSD1TPSG1

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-4309653-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS Exithera Pharmaceuticals Inc. (US) 2024-01-24 — — EP disclosed
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