SCHEMBL5705870

SCHEMBL5705870

O=C(NCCN(CCN1CCCC1)C(=O)Nc1ccccc1C(F)(F)F)Nc1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 5/20 0.56
▸ MAPT P10636 3/20 0.53
▸ TP53 P04637 2/20 0.51
▸ POLB P06746 2/20 0.51
▸ TSHR P16473 1/20 0.51
▸ GAA P10253 1/20 0.49
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ EPHX2 P34913 1/20 0.45
▸ HTR3A P46098 1/20 0.44

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
SCHEMBL4113123 0.87 CNR1 (0.60) CNR1MAPTTP53MEN1KMT2A
SCHEMBL4107145 0.87 CNR1 (0.60) CNR1MAPTTP53MEN1KMT2A
SCHEMBL4107614 0.86 CNR1 (0.71) CNR1MAPTTP53POLBMEN1
SCHEMBL4112231 0.86 CNR1 (0.59) CNR1MAPTTP53POLBMEN1
SCHEMBL4116411 0.84 CNR1 (0.54) CNR1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL4119717 0.82 EPHX2 (0.57) CNR1POLBMEN1KMT2AEPHX2
SCHEMBL4123912 0.81 EPHX2 (0.61) CNR1POLBMEN1KMT2AEPHX2
SCHEMBL4124304 0.81 MEN1 (0.58) CNR1POLBMEN1KMT2AEPHX2
SCHEMBL4115004 0.80 CNR1 (0.59) CNR1MAPTTP53POLBTSHR
SCHEMBL4118060 0.77 EPHX2 (0.59) POLBMEN1KMT2AEPHX2

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-1711175-A1 DIUREA DERIVATIVES Active Biotech AB (SE) 2006-10-18 — — EP claimed
WO-2005074919-A1 DIUREA DERIVATIVES ACTIVE BIOTECH AB (SE) 2005-08-18 — — WO claimed
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