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Sugi Predict / Compounds / SCHEMBL8983299

SCHEMBL8983299

SCHEMBL8983299

COc1ccc(C(OC[C@@H]2C[C@@H](OP(OCCC#N)N(C(C)C)C(C)C)CN2C(=O)CCCCc2c3ccccc3nc3ccccc23)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ SLC6A1 P30531 2/20 0.31
▸ SLC6A11 P48066 1/20 0.31

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
SCHEMBL26302696 0.89 SLC6A11 (0.33) SLC6A1SLC6A11
SCHEMBL16299839 0.88 SLC6A11 (0.35) SLC6A1SLC6A11
SCHEMBL11992564 0.88 SLC6A1 (0.33) SLC6A1SLC6A11
SCHEMBL21662396 0.86 SLC6A11 (0.36) SLC6A1SLC6A11
SCHEMBL2997021 0.85 SLC6A11 (0.37) SLC6A1SLC6A11
SCHEMBL11992545 0.85 ALDH1A1 (0.34) SLC6A1SLC6A11
SCHEMBL12209383 0.85 ALDH1A1 (0.34) SLC6A1SLC6A11
SCHEMBL16393119 0.84 SLC6A1 (0.31) SLC6A1SLC6A11
SCHEMBL16926632 0.83 SLC6A1 (0.31) SLC6A1SLC6A11
SCHEMBL11992573 0.83 SLC6A11 (0.34) SLC6A1SLC6A11

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-5574142-A DRUG DELIVERY TO TARGET CELLS, ANTISENSE OLIGODEOXYNUCLEOTIDES MICROPROBE CORPORATION (US) 1996-11-12 — — US disclosed