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SCHEMBL4402273

SCHEMBL4402273

COc1ccc(C(OC[C@]23CO[C@H]([C@H](n4ccc(NC(=O)c5ccccc5)nc4=O)O2)[C@@H]3OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ P2RY6 Q15077 2/20 0.33
▸ P2RY14 Q15391 2/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ RIN1 Q13671 1/20 0.33
▸ NT5E P21589 1/20 0.33
▸ POLB P06746 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
SCHEMBL1098191 1.00 P2RY6 (0.33) P2RY6P2RY14ABL1RIN1NT5E
SCHEMBL6441180 0.94 P2RY6 (0.33) P2RY6P2RY14ABL1RIN1NT5E
SCHEMBL4074674 0.92 P2RY6 (0.33) P2RY6P2RY14ABL1RIN1NT5E
SCHEMBL1096446 0.91 — —
SCHEMBL209143 0.91 P2RY6 (0.33) P2RY6P2RY14ABL1RIN1NT5E
SCHEMBL4074822 0.89 P2RY6 (0.31) P2RY6P2RY14ABL1RIN1NT5E
SCHEMBL14813328 0.89 P2RY6 (0.34) P2RY6P2RY14ABL1RIN1NT5E
SCHEMBL209202 0.89 P2RY6 (0.34) P2RY6P2RY14ABL1RIN1NT5E
SCHEMBL210108 0.89 P2RY6 (0.34) P2RY6P2RY14ABL1RIN1NT5E
SCHEMBL2195626 0.89 P2RY6 (0.34) P2RY6P2RY14ABL1RIN1NT5E

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
US-7569686-B1 Compounds and methods for synthesis of bicyclic nucleic acid analogs ISIS PHARMACEUTICALS, INC. (US) 2009-08-04 — — US disclosed