SCHEMBL24529323

SCHEMBL24529323

CCN(C(=O)NC(CC(F)(F)F)c1cccc(F)c1)[C@H](C)c1cccc(-c2cn3ccnc3c(OC)n2)c1

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HCRTR2 O43614 12/20 0.71
▸ EPHB4 P54760 3/20 0.40
▸ SYK P43405 3/20 0.36
▸ AURKA O14965 2/20 0.35

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
SCHEMBL24529146 0.90 HCRTR2 (0.72) HCRTR2EPHB4SYKAURKA
SCHEMBL27179807 0.90 HCRTR2 (0.72) HCRTR2EPHB4SYKAURKA
SCHEMBL29723568 0.90 HCRTR2 (0.72) HCRTR2EPHB4SYKAURKA
SCHEMBL24529218 0.86 HCRTR2 (0.75) HCRTR2EPHB4SYKAURKA
SCHEMBL27179411 0.86 HCRTR2 (0.75) HCRTR2EPHB4SYKAURKA
SCHEMBL24529465 0.85 HCRTR2 (0.78) HCRTR2EPHB4SYKAURKA
SCHEMBL29723429 0.85 HCRTR2 (0.78) HCRTR2EPHB4SYKAURKA
SCHEMBL29723430 0.85 HCRTR2 (0.83) HCRTR2EPHB4SYK
SCHEMBL24529460 0.85 HCRTR2 (0.83) HCRTR2EPHB4SYK
SCHEMBL27180108 0.85 HCRTR2 (0.78) HCRTR2EPHB4SYKAURKA

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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