SCHEMBL27412797

SCHEMBL27412797

CCC(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 3/20 0.38
▸ P2RX2 Q9UBL9 3/20 0.38
▸ POLRMT O00411 1/20 0.36
▸ P2RY2 P41231 4/20 0.35
▸ P2RY6 Q15077 2/20 0.35
▸ P2RY1 P47900 1/20 0.35
▸ P2RY12 Q9H244 1/20 0.35
▸ P2RX4 Q99571 1/20 0.35
▸ GPR17 Q13304 1/20 0.35
▸ ENTPD1 P49961 1/20 0.35
▸ P2RY4 P51582 2/20 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
SCHEMBL27412878 0.89 TMPRSS2 (0.51) TMPRSS2P2RX3P2RX2POLRMTP2RY2
SCHEMBL27412794 0.89 TMPRSS2 (0.51) TMPRSS2P2RX3P2RX2POLRMTP2RY2
SCHEMBL27412879 0.88 TMPRSS2 (0.51) TMPRSS2P2RX3P2RX2POLRMTP2RY2
SCHEMBL30973763 0.88 TMPRSS2 (0.49) TMPRSS2P2RX3P2RX2POLRMTP2RY2
SCHEMBL25821576 0.87 TMPRSS2 (0.51) TMPRSS2P2RX3P2RX2POLRMTP2RY2
SCHEMBL30973767 0.87 TMPRSS2 (0.52) TMPRSS2P2RX3P2RX2POLRMTP2RY2
SCHEMBL27412881 0.85 TMPRSS2 (0.47) TMPRSS2P2RX3P2RX2POLRMTP2RY2
SCHEMBL30973738 0.84 TMPRSS2 (0.66) TMPRSS2
Rdv-Tp SCHEMBL23278555 0.83 POLRMT (0.51) TMPRSS2P2RX3P2RX2POLRMTP2RY1
Rdv-Tp SCHEMBL24492746 0.83 POLRMT (0.51) TMPRSS2P2RX3P2RX2POLRMTP2RY1

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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