Sugi Predict

Sugi Predict / Compounds / SCHEMBL8239289

SCHEMBL8239289

SCHEMBL8239289

COC[C@H]1CN2CCS(=O)(=O)CC2CN1c1cc(-c2ccc(F)cc2C)c(N(C)C(=O)C(C)(C)c2cc(CF)cc(C(F)(F)F)c2)cn1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 20/20 0.58
▸ TACR3 P29371 11/20 0.58
▸ CYP3A4 P08684 8/20 0.55

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
SCHEMBL10181889 0.96 TACR1 (0.62) TACR1TACR3CYP3A4
SCHEMBL13462292 0.91 TACR1 (0.57) TACR1TACR3CYP3A4
SCHEMBL337116 0.90 TACR1 (0.70) TACR1TACR3CYP3A4
SCHEMBL8249370 0.90 TACR1 (0.70) TACR1TACR3CYP3A4
SCHEMBL10181691 0.90 TACR1 (0.64) TACR1TACR3CYP3A4
SCHEMBL8245660 0.89 TACR1 (0.59) TACR1TACR3CYP3A4
SCHEMBL10181838 0.89 TACR1 (0.59) TACR1TACR3CYP3A4
SCHEMBL12729879 0.87 TACR1 (0.65) TACR1TACR3CYP3A4
SCHEMBL8249216 0.86 TACR1 (0.59) TACR1TACR3CYP3A4
SCHEMBL8248777 0.84 TACR1 (0.61) TACR1TACR3CYP3A4

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
WO-2007028654-A1 PYRIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS SMITHKLINE BEECHAM CORPORATION (US) 2007-03-15 — — WO disclosed