SCHEMBL29723705

SCHEMBL29723705

CCN(C(=O)N[C@@H](CCC(F)(F)F)C(F)(F)F)C(C)c1cccc(-c2cnc(N)c(OC)c2)c1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HCRTR2 O43614 12/20 0.69
▸ FYN P06241 6/20 0.37
▸ PIK3CA P42336 1/20 0.35
▸ PIK3CG P48736 1/20 0.35
▸ BMPR1A P36894 1/20 0.35
▸ TGFBR1 P36897 1/20 0.35
▸ ACVRL1 P37023 1/20 0.35
▸ ACVR1 Q04771 1/20 0.35
▸ LDHA P00338 1/20 0.35
▸ LDHB P07195 1/20 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
SCHEMBL27180545 1.00 HCRTR2 (0.69) HCRTR2FYNPIK3CAPIK3CGBMPR1A
SCHEMBL27180539 1.00 HCRTR2 (0.69) HCRTR2FYNPIK3CAPIK3CGBMPR1A
SCHEMBL27180541 1.00 HCRTR2 (0.69) HCRTR2FYNPIK3CAPIK3CGBMPR1A
SCHEMBL29723797 1.00 HCRTR2 (0.69) HCRTR2FYNPIK3CAPIK3CGBMPR1A
SCHEMBL24529480 0.83 HCRTR2 (0.75) HCRTR2
SCHEMBL27179451 0.83 HCRTR2 (0.75) HCRTR2
SCHEMBL27179453 0.83 HCRTR2 (0.75) HCRTR2
SCHEMBL27179481 0.82 HCRTR2 (1.00) HCRTR2FYN
SCHEMBL24529303 0.82 HCRTR2 (1.00) HCRTR2FYN
SCHEMBL27179483 0.82 HCRTR2 (1.00) HCRTR2FYN

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4262788-A1 UREA OREXIN RECEPTOR AGONISTS Merck Sharp & Dohme LLC (US) 2023-10-25 — — EP disclosed
WO-2022132696-A1 UREA OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2022-06-23 — — WO disclosed
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