Sugi Predict

Sugi Predict / Compounds / Thiotepa

Thiotepa

Thiotepa

SCHEMBL5237308

O=C(O)c1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nc1C(=O)NN1CCCCC1.S=P(N1CC1)(N1CC1)N1CC1

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 17/20 0.55
▸ CNR2 P34972 6/20 0.54

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
SCHEMBL4682588 0.91 CNR1 (0.65) CNR1CNR2
SCHEMBL4676951 0.86 CNR1 (0.59) CNR1CNR2
SCHEMBL4680422 0.86 CNR1 (0.59) CNR1CNR2
SCHEMBL4680489 0.80 CNR1 (0.60) CNR1CNR2
SCHEMBL6823078 0.80 CNR1 (0.62) CNR1CNR2
SCHEMBL4679006 0.79 CNR1 (0.65) CNR1CNR2
SCHEMBL4681648 0.78 CNR1 (0.48) CNR1CNR2
SCHEMBL4680736 0.77 CNR1 (0.58) CNR1CNR2
SCHEMBL4681525 0.77 CNR1 (0.61) CNR1CNR2
SCHEMBL5820939 0.76 CNR1 (0.53) CNR1CNR2

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-1701958-B1 PYRROLO-PYRAZINE DERIVATIVES USEFUL AS CB1-MODULATORS ASTRAZENECA AB (SE) 2007-05-02 — — EP disclosed