SCHEMBL24529260

SCHEMBL24529260

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

nearest known ligand 0.86

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HCRTR2 O43614 14/20 0.86
▸ SYK P43405 2/20 0.33
▸ NTRK1 P04629 1/20 0.31
▸ EPHB4 P54760 1/20 0.30
▸ RAF1 P04049 1/20 0.30
▸ BRAF P15056 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
SCHEMBL27179813 0.93 HCRTR2 (0.74) HCRTR2SYKEPHB4RAF1BRAF
SCHEMBL27179816 0.93 HCRTR2 (0.74) HCRTR2SYKEPHB4RAF1BRAF
SCHEMBL29723555 0.93 HCRTR2 (1.00) HCRTR2SYKEPHB4
SCHEMBL24529569 0.93 HCRTR2 (1.00) HCRTR2SYKEPHB4
SCHEMBL27180395 0.93 HCRTR2 (1.00) HCRTR2SYKEPHB4
SCHEMBL27179811 0.93 HCRTR2 (0.74) HCRTR2SYKEPHB4RAF1BRAF
SCHEMBL27180393 0.93 HCRTR2 (1.00) HCRTR2SYKEPHB4
SCHEMBL24529493 0.90 HCRTR2 (0.82) HCRTR2NTRK1EPHB4
SCHEMBL29723605 0.90 HCRTR2 (0.82) HCRTR2NTRK1EPHB4
SCHEMBL27179518 0.90 HCRTR2 (0.82) HCRTR2NTRK1EPHB4

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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