SCHEMBL31075313

SCHEMBL31075313

O=C(O)c1cnn(Cc2cnc(N3CCC3)nc2)n1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.38
CACNA1H O95180 13/20 0.38
AOC3 Q16853 2/20 0.34
LMNA P02545 1/20 0.33
CASP1 P29466 1/20 0.33
ACACB O00763 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33

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
SCHEMBL31075280 0.85 CACNA1H (0.42) CACNA1HACACB
SCHEMBL26969838 0.77 BCL2L1 (0.34) CACNA1HAOC3TAAR1
SCHEMBL17610724 0.73 CYP19A1 (0.53) ALDH1A1POLBLMNA
SCHEMBL31075255 0.73 ALDH1A1 (0.39) ALDH1A1POLBLMNACASP1ACACB
SCHEMBL31075273 0.73 L3MBTL1 (0.46) ALDH1A1POLBLMNA
SCHEMBL26969961 0.68 SCD (0.49) ALDH1A1LMNA
SCHEMBL26969903 0.67 OGA (0.46) ALDH1A1POLBAOC3ACACBTAAR1
SCHEMBL23864060 0.66 HTT (0.39) ALDH1A1POLBLMNA
SCHEMBL184998 0.66 POLB (0.71) ALDH1A1POLBLMNACASP1
SCHEMBL16246799 0.65 KLKB1 (0.56) LMNACASP1

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-4665330-A1 PLASMA KALLIKREIN INHIBITORS Merck Sharp & Dohme LLC (US) 2025-12-24 EP disclosed
WO-2024173196-A1 PLASMA KALLIKREIN INHIBITORS MERCK SHARP & DOHME LLC (US) 2024-08-22 WO disclosed