SCHEMBL27412878

SCHEMBL27412878

CCN(CC)C(=O)Nc1ncnn2c([C@]3(C#N)O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)ccc12

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.51
▸ P2RX3 P56373 4/20 0.39
▸ P2RX2 Q9UBL9 3/20 0.39
▸ P2RY2 P41231 2/20 0.37
▸ P2RY1 P47900 1/20 0.37
▸ P2RY6 Q15077 1/20 0.37
▸ P2RY12 Q9H244 1/20 0.37
▸ P2RX4 Q99571 2/20 0.36
▸ GPR17 Q13304 2/20 0.36
▸ POLRMT O00411 1/20 0.36
▸ NT5E P21589 1/20 0.35
▸ P2RX1 P51575 1/20 0.34

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
SCHEMBL27412797 0.89 TMPRSS2 (0.51) TMPRSS2P2RX3P2RX2P2RY2P2RY1
SCHEMBL27412879 0.88 TMPRSS2 (0.51) TMPRSS2P2RX3P2RX2P2RY2P2RY1
SCHEMBL30973763 0.88 TMPRSS2 (0.49) TMPRSS2P2RX3P2RX2P2RY2P2RY1
SCHEMBL25821576 0.87 TMPRSS2 (0.51) TMPRSS2P2RX3P2RX2P2RY2P2RY1
SCHEMBL27412794 0.87 TMPRSS2 (0.51) TMPRSS2P2RX3P2RX2P2RY2P2RY1
SCHEMBL30973767 0.87 TMPRSS2 (0.52) TMPRSS2P2RX3P2RX2P2RY2P2RY1
SCHEMBL27412881 0.85 TMPRSS2 (0.47) TMPRSS2P2RX3P2RX2P2RY2P2RY1
SCHEMBL30973741 0.84 TMPRSS2 (0.66) TMPRSS2
Rdv-Tp SCHEMBL24492746 0.83 POLRMT (0.51) TMPRSS2P2RX3P2RX2P2RY1P2RX4
Rdv-Tp SCHEMBL10120881 0.83 POLRMT (0.51) TMPRSS2P2RX3P2RX2P2RY1P2RX4

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
WO-2024129963-A1 ORALLY-BIOAVAILABLE NUCLEOSIDE ANALOGS VenatoRx Pharmaceuticals, Inc. (US) 2024-06-20 — — WO disclosed
WO-2024129963-A1 ORALLY-BIOAVAILABLE NUCLEOSIDE ANALOGS VenatoRx Pharmaceuticals, Inc. (US) 2024-06-20 — — WO disclosed
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