SCHEMBL24529366

SCHEMBL24529366

CCN(C(=O)N[C@@H](CCC(F)(F)F)C(F)(F)F)[C@H](C)c1cc(-c2cn3ccnc3c(C)n2)c(OC)cn1

nearest known ligand 0.86

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HCRTR2 O43614 16/20 0.86
▸ SYK P43405 3/20 0.33
▸ EPHB4 P54760 1/20 0.31
▸ CD63 P08962 1/20 0.31

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
SCHEMBL27179515 0.93 HCRTR2 (0.74) HCRTR2SYKEPHB4CD63
SCHEMBL27179514 0.93 HCRTR2 (0.74) HCRTR2SYKEPHB4CD63
SCHEMBL27179513 0.93 HCRTR2 (0.74) HCRTR2SYKEPHB4CD63
SCHEMBL27180395 0.93 HCRTR2 (1.00) HCRTR2SYKEPHB4
SCHEMBL29723555 0.93 HCRTR2 (1.00) HCRTR2SYKEPHB4
SCHEMBL24529569 0.93 HCRTR2 (1.00) HCRTR2SYKEPHB4
SCHEMBL27180393 0.93 HCRTR2 (1.00) HCRTR2SYKEPHB4
SCHEMBL24529530 0.87 HCRTR2 (0.77) HCRTR2
SCHEMBL24529260 0.87 HCRTR2 (0.86) HCRTR2SYKEPHB4
SCHEMBL24529488 0.86 HCRTR2 (0.75) HCRTR2SYK

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
Send feedback