SCHEMBL24529530

SCHEMBL24529530

CCN(C(=O)N[C@@H](CCC(F)(F)F)C(F)(F)F)[C@H](C)c1cc(-c2cc(OC)c3nccn3c2)c(OC)cn1

nearest known ligand 0.77

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HCRTR2 O43614 14/20 0.77
▸ TTK P33981 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL24529488 0.94 HCRTR2 (0.75) HCRTR2
SCHEMBL27180101 0.94 HCRTR2 (0.75) HCRTR2
SCHEMBL27181338 0.92 HCRTR2 (0.73) HCRTR2TTK
SCHEMBL27181340 0.92 HCRTR2 (0.73) HCRTR2TTK
SCHEMBL27181336 0.92 HCRTR2 (0.73) HCRTR2TTK
SCHEMBL24529366 0.87 HCRTR2 (0.86) HCRTR2
SCHEMBL24529569 0.87 HCRTR2 (1.00) HCRTR2
SCHEMBL29723555 0.87 HCRTR2 (1.00) HCRTR2
SCHEMBL27180395 0.87 HCRTR2 (1.00) HCRTR2
SCHEMBL27180393 0.87 HCRTR2 (1.00) HCRTR2

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-2022132696-A1 UREA OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2022-06-23 — — WO disclosed
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