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Sugi Predict / Compounds / SCHEMBL12583149

SCHEMBL12583149

SCHEMBL12583149

Cc1cc(F)ccc1-c1cc(N2CCNC(CCS(C)(=O)=O)C2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 19/20 0.70
▸ TACR3 P29371 11/20 0.70
▸ CYP3A4 P08684 7/20 0.64

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
SCHEMBL1873537 0.87 TACR1 (0.78) TACR1TACR3CYP3A4
SCHEMBL1873540 0.87 TACR1 (0.78) TACR1TACR3CYP3A4
SCHEMBL1873965 0.84 TACR1 (0.77) TACR1TACR3CYP3A4
SCHEMBL12670491 0.83 TACR1 (0.80) TACR1TACR3CYP3A4
SCHEMBL1873468 0.83 TACR1 (0.80) TACR1TACR3CYP3A4
SCHEMBL27643041 0.83 TACR1 (0.80) TACR1TACR3CYP3A4
SCHEMBL1873760 0.83 TACR1 (0.80) TACR1TACR3CYP3A4
SCHEMBL1867056 0.83 TACR1 (0.77) TACR1TACR3CYP3A4
SCHEMBL12670492 0.83 TACR1 (0.77) TACR1TACR3CYP3A4
SCHEMBL1872201 0.83 TACR1 (0.77) 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
EP-2336136-A1 Pyridine derivatives and their use in the treatment of psychotic disorders GlaxoSmithKline LLC (US) 2011-06-22 — — EP disclosed