SCHEMBL19957516

SCHEMBL19957516

CCN(C)c1nc(CCCCN(C)c2nc(C)cc(NC3COC3)n2)cc(NC2COC2)n1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 4/20 0.33
▸ HCRTR2 O43614 4/20 0.33
▸ ESR1 P03372 1/20 0.31
▸ NOS3 P29474 1/20 0.30
▸ NOS1 P29475 1/20 0.30
▸ NOS2 P35228 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
SCHEMBL15830339 0.87 KCNN2 (0.35) HCRTR1HCRTR2
SCHEMBL17303810 0.82 HCRTR1 (0.37) HCRTR1HCRTR2
SCHEMBL15830010 0.80 DNM2 (0.40) HCRTR1HCRTR2
SCHEMBL17303565 0.79 EHMT2 (0.37) HCRTR1HCRTR2
SCHEMBL15834819 0.77 EHMT2 (0.40) HCRTR1HCRTR2
SCHEMBL19633485 0.76 EHMT2 (0.35) ESR1
SCHEMBL15833953 0.75 EHMT2 (0.35) ESR1
SCHEMBL19633400 0.74 EHMT2 (0.36) ESR1
SCHEMBL15833940 0.74 KCNN2 (0.38) —
SCHEMBL21299883 0.73 — —

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-4219465-A2 PRMT5 INHIBITORS AND USES THEREOF Epizyme Inc (US) 2023-08-02 — — EP disclosed
EP-2935243-B1 PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF EPIZYME INC (US) 2018-03-14 — — EP disclosed
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