SCHEMBL27127735

SCHEMBL27127735

CC(NC(=O)N1C(=O)[C@H](Cc2ccnc(N)c2)[C@H]1C#N)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ F11 P03951 18/20 0.53
▸ TPSAB1 Q15661 1/20 0.44
▸ TPSD1 Q9BZJ3 1/20 0.44
▸ TPSG1 Q9NRR2 1/20 0.44

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
SCHEMBL17002073 1.00 F11 (0.53) F11TPSAB1TPSD1TPSG1
SCHEMBL18476738 1.00 F11 (0.53) F11TPSAB1TPSD1TPSG1
SCHEMBL16998485 1.00 F11 (0.53) F11TPSAB1TPSD1TPSG1
Trifluoroacetic Acid SCHEMBL16989072 0.95 F11 (0.51) F11TPSAB1TPSD1TPSG1
Trifluoroacetic Acid SCHEMBL30239936 0.95 F11 (0.51) F11TPSAB1TPSD1TPSG1
SCHEMBL16997650 0.91 F11 (0.51) F11
SCHEMBL17002078 0.91 F11 (0.51) F11
SCHEMBL18476741 0.91 F11 (0.51) F11
SCHEMBL20901311 0.87 F11 (0.56) F11TPSAB1TPSD1TPSG1
Trifluoroacetic Acid SCHEMBL16991847 0.86 F11 (0.50) F11

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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