SCHEMBL14833207

SCHEMBL14833207

O=C(NC1CC2CN(C(=O)c3cccc(C(F)(F)F)c3)CCN2C1)c1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 1/20 0.53
▸ KMT2A Q03164 3/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ CCR2 P41597 5/20 0.50
▸ L3MBTL3 Q96JM7 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ POLB P06746 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ ABL1 P00519 1/20 0.46
▸ BCR P11274 1/20 0.46
▸ UBE2M P61081 1/20 0.46
▸ DCUN1D1 Q96GG9 1/20 0.46
▸ KCNH2 Q12809 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ HPGDS O60760 1/20 0.44
▸ MGLL Q99685 2/20 0.43

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
SCHEMBL14815282 1.00 HSD11B1 (0.53) HSD11B1KMT2AMEN1CCR2L3MBTL3
SCHEMBL14833216 0.96 CCR2 (0.54) HSD11B1KMT2AMEN1CCR2L3MBTL3
SCHEMBL14815069 0.96 CCR2 (0.54) HSD11B1KMT2AMEN1CCR2L3MBTL3
SCHEMBL14815335 0.92 MGLL (0.54) HSD11B1KMT2AMEN1CCR2L3MBTL3
SCHEMBL14833250 0.90 L3MBTL3 (0.56) HSD11B1KMT2AMEN1CCR2L3MBTL3
SCHEMBL14815270 0.90 L3MBTL3 (0.56) HSD11B1KMT2AMEN1CCR2L3MBTL3
SCHEMBL14814550 0.88 KMT2A (0.50) HSD11B1KMT2AMEN1CCR2L3MBTL3
SCHEMBL14830396 0.88 KMT2A (0.50) HSD11B1KMT2AMEN1CCR2L3MBTL3
SCHEMBL14815167 0.88 KMT2A (0.50) HSD11B1KMT2AMEN1CCR2L3MBTL3
SCHEMBL14833493 0.88 KMT2A (0.50) HSD11B1KMT2AMEN1CCR2L3MBTL3

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 disclosed
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