SCHEMBL27045789

SCHEMBL27045789

BCC1[C@@H](Cc2ccnc(N)c2)C(=O)N1C(=O)NC(C)c1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ F11 P03951 18/20 0.49
▸ TPSAB1 Q15661 1/20 0.41
▸ TPSD1 Q9BZJ3 1/20 0.41
▸ TPSG1 Q9NRR2 1/20 0.41

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
SCHEMBL16998457 0.87 F11 (0.66) F11TPSAB1TPSD1TPSG1
SCHEMBL16997881 0.87 F11 (0.66) F11TPSAB1TPSD1TPSG1
SCHEMBL3335950 0.84 F11 (0.55) F11TPSAB1TPSD1TPSG1
SCHEMBL17002076 0.84 F11 (0.55) F11TPSAB1TPSD1TPSG1
SCHEMBL24092125 0.83 F11 (0.54) F11TPSAB1TPSD1TPSG1
SCHEMBL16998248 0.83 F11 (0.54) F11TPSAB1TPSD1TPSG1
SCHEMBL13302669 0.82 F11 (0.53) F11TPSAB1TPSD1TPSG1
SCHEMBL24092109 0.81 F11 (0.53) F11TPSAB1TPSD1TPSG1
SCHEMBL21460473 0.81 F11 (0.65) F11
SCHEMBL20318714 0.81 F11 (0.65) 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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