SCHEMBL24529160

SCHEMBL24529160

CCNCc1cc(-c2cn3ccnc3c(OC)n2)c(OC)cn1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HCRTR2 O43614 8/20 0.49
▸ PDE3B Q13370 1/20 0.41
▸ PDE3A Q14432 1/20 0.41
▸ SYK P43405 10/20 0.36
▸ CD63 P08962 2/20 0.36

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
SCHEMBL24386989 0.90 HCRTR2 (0.41) HCRTR2PDE3BPDE3ASYKCD63
SCHEMBL24529251 0.85 HCRTR2 (0.36) HCRTR2PDE3BPDE3A
SCHEMBL24529427 0.81 HCRTR2 (0.33) HCRTR2
SCHEMBL24529263 0.81 HCRTR2 (0.41) HCRTR2SYKCD63
SCHEMBL24529568 0.80 HCRTR2 (0.57) HCRTR2PDE3BPDE3ASYKCD63
SCHEMBL24529162 0.77 HCRTR2 (0.60) HCRTR2PDE3BPDE3ASYKCD63
SCHEMBL27180727 0.77 HCRTR2 (0.60) HCRTR2PDE3BPDE3ASYKCD63
SCHEMBL29723690 0.77 HCRTR2 (0.60) HCRTR2PDE3BPDE3ASYKCD63
SCHEMBL29723788 0.74 HCRTR2 (0.50) HCRTR2PDE3BPDE3ASYKCD63
SCHEMBL24386988 0.74 ALDH1A1 (0.38) HCRTR2PDE3BPDE3ASYKCD63

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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