SCHEMBL31075280

SCHEMBL31075280

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

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 15/20 0.42
ACACB O00763 3/20 0.40
MAPT P10636 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL31075313 0.85 ALDH1A1 (0.39) CACNA1HACACB
SCHEMBL31075195 0.77 ACACB (0.43) ACACBMAPTMEN1KMT2A
SCHEMBL31075246 0.76 F11 (0.40) ACACBMAPTMEN1KMT2A
SCHEMBL19224705 0.75 AR (0.46) MAPTMEN1KMT2A
SCHEMBL26969838 0.73 BCL2L1 (0.34) CACNA1HKMT2A
SCHEMBL19228569 0.73 CACNA1H (0.41) CACNA1HMEN1KMT2A
SCHEMBL1412434 0.71 MAPK1 (0.40) MAPTMEN1KMT2A
SCHEMBL17786853 0.71 F11 (0.40) ACACBMAPT
SCHEMBL17786852 0.70 KLKB1 (0.57) ACACB
SCHEMBL23370098 0.70 MAPT (0.54) ACACBMAPTKMT2A

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