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SCHEMBL8246706

SCHEMBL8246706

Cc1ccc(-c2cc(N3C[C@@H]4CCCN4C[C@H]3CO)ncc2N(C)C(=O)C(C)(C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(C)c1

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 20/20 0.70
▸ TACR3 P29371 15/20 0.70
▸ CYP3A4 P08684 4/20 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
SCHEMBL337875 0.94 TACR1 (0.80) TACR1TACR3CYP3A4
SCHEMBL337191 0.94 TACR1 (0.80) TACR1TACR3CYP3A4
SCHEMBL337259 0.94 TACR1 (0.80) TACR1TACR3CYP3A4
SCHEMBL337695 0.94 TACR1 (0.80) TACR1TACR3CYP3A4
Hydrochloric Acid SCHEMBL337630 0.93 TACR1 (0.79) TACR1TACR3CYP3A4
Hydrochloric Acid SCHEMBL337465 0.93 TACR1 (0.79) TACR1TACR3CYP3A4
SCHEMBL8248777 0.89 TACR1 (0.61) TACR1TACR3CYP3A4
Elinzanetant SCHEMBL22655398 0.84 TACR1 (0.71) TACR1TACR3CYP3A4
SCHEMBL337323 0.84 TACR1 (0.71) TACR1TACR3CYP3A4
Elinzanetant SCHEMBL31181463 0.84 TACR1 (0.71) 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