SCHEMBL19957574

SCHEMBL19957574

CC(C)c1ccnc(N(C)CCNCC(F)(F)F)c1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 2/20 0.34
▸ HCRTR1 O43613 2/20 0.32
▸ HCRTR2 O43614 2/20 0.32
▸ MAPK13 O15264 1/20 0.31
▸ MAPK12 P53778 1/20 0.31
▸ MAPK11 Q15759 1/20 0.31
▸ MAPK14 Q16539 1/20 0.31
▸ ITGB2 P05107 1/20 0.30
▸ ICAM1 P05362 1/20 0.30
▸ ITGAL P20701 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
SCHEMBL15830272 0.83 HCRTR1 (0.33) HRH4HCRTR1HCRTR2
SCHEMBL18672961 0.81 HCRTR1 (0.32) HRH4HCRTR1HCRTR2
SCHEMBL15834048 0.81 NOS3 (0.36) HRH4HCRTR1HCRTR2
SCHEMBL14349223 0.76 HRH3 (0.50) HRH4HCRTR1HCRTR2MAPK13MAPK12
SCHEMBL20889910 0.75 POLB (0.50) HRH4HCRTR1HCRTR2
SCHEMBL19171118 0.72 IDH1 (0.38) HRH4HCRTR1HCRTR2
SCHEMBL20890615 0.69 PROKR1 (0.36) HRH4ITGB2ICAM1ITGAL
SCHEMBL12530261 0.69 EED (0.37) —
SCHEMBL19501405 0.67 HSP90AA1 (0.38) —
SCHEMBL19501382 0.67 BCHE (0.43) —

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
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