SCHEMBL1923155

SCHEMBL1923155

CC(C)CCn1nc(N2CCN(C(=O)c3cc(F)ccc3C(F)(F)F)CC2)c(=O)n(C)c1=O.Cn1c(=O)c(N2CCN(C(=O)c3cc(F)ccc3C(F)(F)F)CC2)nn(CCCC(F)(F)F)c1=O

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 2/20 0.41
▸ HCRTR2 O43614 2/20 0.41
▸ SCD O00767 7/20 0.39
▸ TP53 P04637 3/20 0.34
▸ HTT P42858 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ GBA1 P04062 1/20 0.33
▸ MGLL Q99685 1/20 0.33
▸ P2RX7 Q99572 1/20 0.33

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
SCHEMBL1781671 0.94 SCD (0.42) HCRTR1HCRTR2SCDTP53HTT
SCHEMBL1781823 0.94 HCRTR1 (0.45) HCRTR1HCRTR2SCDTP53HTT
SCHEMBL1782074 0.84 SCD (0.47) SCDGBA1
SCHEMBL1779608 0.84 SCD (0.52) SCDGBA1
SCHEMBL1780680 0.81 HCRTR1 (0.47) HCRTR1HCRTR2SCDTP53HTT
SCHEMBL1781570 0.76 SCD (0.51) SCDGBA1
SCHEMBL1781966 0.75 SCD (0.54) SCDGBA1
SCHEMBL1780586 0.74 HCRTR1 (0.47) HCRTR1HCRTR2SCDTP53HTT
SCHEMBL1780313 0.73 HTT (0.51) HCRTR1HCRTR2SCDHTTKMT2A
SCHEMBL1781932 0.73 DRD4 (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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2328886-A1 DERIVATIVES OF TRIAZINES AND URACILS, THEIR PREPARATION AND THEIR APPLICATION IN HUMAN THERAPEUTICS Pierre Fabre Médicament (FR) 2011-06-08 — — EP disclosed
WO-2010006962-A1 DERIVATIVES OF TRIAZINES AND URACILS, THEIR PREPARATION AND THEIR APPLICATION IN HUMAN THERAPEUTICS PIERRE FABRE MEDICAMENT (FR) 2010-01-21 — — WO disclosed
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