SCHEMBL19957545

SCHEMBL19957545

O=C(COc1cccc(-c2c[nH]cn2)c1)NCCCN1CCc2ccccc2C1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 15/20 0.57
WDR77 Q9BQA1 13/20 0.57
USP2 O75604 1/20 0.50
ACKR3 P25106 1/20 0.48
ACHE P22303 1/20 0.47

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
SCHEMBL19957534 0.86 PRMT5 (0.75) PRMT5WDR77USP2
SCHEMBL17300916 0.86 PRMT5 (0.77) PRMT5WDR77
SCHEMBL19957678 0.85 PRMT5 (0.74) PRMT5WDR77USP2ACKR3
SCHEMBL19957684 0.84 PRMT5 (0.75) PRMT5WDR77USP2
SCHEMBL19957667 0.82 PRMT5 (0.66) PRMT5WDR77ACKR3ACHE
SCHEMBL19957753 0.82 PRMT5 (0.60) PRMT5WDR77
SCHEMBL19957539 0.82 PRMT5 (0.75) PRMT5WDR77USP2
SCHEMBL19957763 0.80 PRMT5 (0.52) PRMT5WDR77
SCHEMBL19957543 0.79 PRMT5 (0.54) PRMT5WDR77
SCHEMBL19957673 0.77 PRMT5 (0.78) PRMT5WDR77

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
EP-2935243-B1 PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF EPIZYME INC (US) 2018-03-14 EP disclosed