SCHEMBL6989100

SCHEMBL6989100

N=C(N)NC(=O)NC1CCc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
EPHX1 P07099 1/20 0.52
BACE1 P56817 1/20 0.51
HTT P42858 2/20 0.49
ALDH1A1 P00352 2/20 0.49
PDE4A P27815 1/20 0.49
PDE4B Q07343 1/20 0.49
PDE4C Q08493 1/20 0.49
PDE4D Q08499 1/20 0.49
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.49
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
TAS1R3 Q7RTX0 3/20 0.48
TAS1R1 Q7RTX1 3/20 0.48
TAS1R2 Q8TE23 1/20 0.48

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
SCHEMBL10310232 0.85 PDPK1 (0.56) EPHX2MEN1KMT2AEPHX1HTT
SCHEMBL1520715 0.85 PDPK1 (0.56) EPHX2MEN1KMT2AEPHX1HTT
SCHEMBL1441195 0.82 CA1 (0.57) EPHX2MEN1KMT2AEPHX1HTT
SCHEMBL30752036 0.82 CA1 (0.57) EPHX2MEN1KMT2AEPHX1HTT
SCHEMBL1442687 0.82 CA1 (0.57) EPHX2MEN1KMT2AEPHX1HTT
SCHEMBL30751997 0.82 CA1 (0.57) EPHX2MEN1KMT2AEPHX1HTT
SCHEMBL2073072 0.82 CA1 (0.57) EPHX2MEN1KMT2AEPHX1HTT
SCHEMBL4472558 0.79 CA1 (0.54) EPHX2MEN1KMT2AEPHX1HTT
SCHEMBL3078821 0.79 PDPK1 (0.56) EPHX2MEN1KMT2AEPHX1HTT
SCHEMBL6163049 0.78 PDPK1 (0.59) EPHX2MEN1KMT2AEPHX1HTT

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-1332127-A2 AMIDINO-UREA SEROTONIN RECEPTOR LIGANDS AND COMPOSITIONS, THEIR PHARMACEUTICAL USES, AND METHODS FOR THEIR SNYTHESIS Warner-Lambert Company LLC (US) 2003-08-06 EP disclosed
WO-2002036554-A2 AMIDINO-UREA SEROTONIN RECEPTOR LIGANDS AND COMPOSITIONS, THEIR PHARMACEUTICAL USES, AND METHODS FOR THEIR SNYTHESIS WARNER-LAMBERT COMPANY LLC (US) 2002-05-10 WO disclosed