SCHEMBL14833250

SCHEMBL14833250

O=C(NC1CC2CN(C(=O)c3ccc(C(F)(F)F)cc3)CCN2C1)c1ccc(F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL3 Q96JM7 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ HSD11B1 P28845 1/20 0.50
▸ TEAD1 P28347 1/20 0.45
▸ PRKAB2 O43741 1/20 0.45
▸ PRKAG1 P54619 1/20 0.45
▸ PRKAA2 P54646 1/20 0.45
▸ PRKAA1 Q13131 1/20 0.45
▸ PRKAG3 Q9UGI9 1/20 0.45
▸ PRKAG2 Q9UGJ0 1/20 0.45
▸ PRKAB1 Q9Y478 1/20 0.45
▸ SLC6A5 Q9Y345 3/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ MGLL Q99685 1/20 0.43
▸ CTSB P07858 1/20 0.42
▸ CTSS P25774 1/20 0.42
▸ CTSK P43235 1/20 0.42

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
SCHEMBL14815270 1.00 L3MBTL3 (0.56) L3MBTL3L3MBTL1HSD11B1TEAD1PRKAB2
SCHEMBL14815072 0.91 L3MBTL3 (0.55) L3MBTL3L3MBTL1TEAD1SLC6A5KMT2A
SCHEMBL14833207 0.90 HSD11B1 (0.53) L3MBTL3L3MBTL1HSD11B1KMT2AMEN1
SCHEMBL14815282 0.90 HSD11B1 (0.53) L3MBTL3L3MBTL1HSD11B1KMT2AMEN1
SCHEMBL14833216 0.90 CCR2 (0.54) L3MBTL3L3MBTL1HSD11B1KMT2AMEN1
SCHEMBL14815069 0.90 CCR2 (0.54) L3MBTL3L3MBTL1HSD11B1KMT2AMEN1
SCHEMBL14814591 0.87 L3MBTL3 (0.50) L3MBTL3L3MBTL1TEAD1SLC6A5KMT2A
SCHEMBL14833257 0.87 L3MBTL3 (0.50) L3MBTL3L3MBTL1TEAD1SLC6A5KMT2A
SCHEMBL14815209 0.84 L3MBTL3 (0.51) L3MBTL3L3MBTL1SLC6A5KMT2AMEN1
SCHEMBL14815389 0.82 TRPV4 (0.53) L3MBTL3L3MBTL1KMT2AMEN1GAA

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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