SCHEMBL4056913

SCHEMBL4056913

O=C(c1ccccc1)N1CCC(N(Cc2cnc(Cl)cn2)C2CC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.47
ACHE P22303 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MGLL Q99685 1/20 0.44
L3MBTL3 Q96JM7 2/20 0.41
EPHX1 P07099 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL13690725 0.88 L3MBTL3 (0.46) CYP3A4ACHEMEN1KMT2AMGLL
SCHEMBL13690337 0.86 HPGD (0.47) KMT2A
SCHEMBL4054057 0.86 SIRT6 (0.33) CYP3A4MEN1KMT2A
SCHEMBL13690386 0.78 NAMPT (0.33)
SCHEMBL4057691 0.74 TSHR (0.48)
SCHEMBL13690343 0.74 GPR119 (0.43)
SCHEMBL3981425 0.71 KMT2A (0.44) MEN1KMT2AEPHX1
SCHEMBL4370434 0.70 L3MBTL3 (0.44) ACHEKMT2AMGLLL3MBTL3
SCHEMBL13690485 0.70 NOS2 (0.39) CYP3A4
SCHEMBL13690530 0.70 ATR (0.47) ACHEMEN1KMT2AL3MBTL3SMN1; SMN2

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-2009106561-A1 PYRAZINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (PUBL) (SE) 2009-09-03 WO disclosed