SCHEMBL10762637

SCHEMBL10762637

COc1ccc(C(OC2[C@@H](O)CC[C@@]2(C)N2CNc3c2nc(N)[nH]c3=O)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SLC6A9 P48067 3/20 0.34
▸ SLC6A5 Q9Y345 3/20 0.34
▸ OPRM1 P35372 1/20 0.34
▸ OPRL1 P41146 1/20 0.34
▸ SLC6A1 P30531 2/20 0.32
▸ SLC6A11 P48066 1/20 0.32
▸ TYMP P19971 1/20 0.32
▸ TNKS O95271 2/20 0.30
▸ PARP1 P09874 2/20 0.30
▸ TNKS2 Q9H2K2 2/20 0.30
▸ HPRT1 P00492 2/20 0.30
▸ TYMS P04818 2/20 0.30
▸ XDH P47989 1/20 0.30
▸ NPY2R P49146 1/20 0.30
▸ BACE1 P56817 1/20 0.30

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
SCHEMBL10394456 0.79 SLC6A11 (0.36) SLC6A1SLC6A11TYMPTNKSPARP1
SCHEMBL10394453 0.63 TYMP (0.44) SLC6A1SLC6A11TYMPHPRT1XDH
SCHEMBL10394454 0.63 TYMP (0.44) SLC6A1SLC6A11TYMPHPRT1XDH
SCHEMBL10508847 0.63 TYMS (0.51) HPRT1TYMSXDH
SCHEMBL9020311 0.61 HPRT1 (0.38) HPRT1
SCHEMBL6838999 0.60 TYMP (0.59) TYMPXDH
SCHEMBL6406915 0.60 EDNRA (0.43) SLC6A1SLC6A11NPY2R
SCHEMBL10759491 0.59 TYMP (0.49) SLC6A1SLC6A11TYMPXDHBACE1
SCHEMBL712026 0.59 HPRT1 (0.50) SLC6A1HPRT1
SCHEMBL10509246 0.58 MTNR1A (0.47) HPRT1TYMSXDH

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
EP-0236935-A2 Carboxylic purine nucleosides, their production and use Takeda Chemical Industries, Ltd. (JP) 1987-09-16 — — EP disclosed
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