SCHEMBL14833365

SCHEMBL14833365

O=C(NC1CC2CN(C(=O)c3cccc(C(F)(F)F)c3)CCN2C1)c1ccc(Cl)cc1F

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 1/20 0.46
▸ KMT2A Q03164 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ LMNA P02545 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ CCR2 P41597 10/20 0.41
▸ RHOC P08134 1/20 0.40
▸ RHOA P61586 1/20 0.40
▸ HSD11B1 P28845 1/20 0.40
▸ DRD4 P21917 1/20 0.40
▸ HTR6 P50406 1/20 0.40

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
SCHEMBL14815102 1.00 MGLL (0.46) MGLLKMT2AMEN1LMNAPOLB
SCHEMBL14833315 0.93 MEN1 (0.49) MGLLKMT2AMEN1CCR2DRD4
SCHEMBL14815236 0.93 MEN1 (0.49) MGLLKMT2AMEN1CCR2DRD4
SCHEMBL14815335 0.89 MGLL (0.54) MGLLKMT2AMEN1LMNAPOLB
SCHEMBL14814550 0.87 KMT2A (0.50) MGLLKMT2AMEN1LMNAPOLB
SCHEMBL14830396 0.87 KMT2A (0.50) MGLLKMT2AMEN1LMNAPOLB
SCHEMBL14833264 0.87 MEN1 (0.53) MGLLKMT2AMEN1LMNAPOLB
SCHEMBL14815112 0.87 MEN1 (0.53) MGLLKMT2AMEN1LMNAPOLB
SCHEMBL14815167 0.85 KMT2A (0.50) MGLLKMT2AMEN1LMNAPOLB
SCHEMBL14833493 0.85 KMT2A (0.50) MGLLKMT2AMEN1LMNAPOLB

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-2013049164-A1 SUBSTITUTED OCTAHYDROPYRROLO[1,2-a]PYRAZINES AS CALCIUM CHANNEL BLOCKERS ABBVIE INC. (US) 2013-04-04 — — WO claimed
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