SCHEMBL2659786

SCHEMBL2659786

c1ccc(COC2(NC3CCCCC3)CCCCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.42
HPGD P15428 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
ALDH1A1 P00352 2/20 0.42
SGMS2 Q8NHU3 1/20 0.42
FOXM1 Q08050 1/20 0.42
EPHX2 P34913 1/20 0.42
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CNR2 P34972 2/20 0.39
CNR1 P21554 1/20 0.39
FKBP1A P62942 1/20 0.38

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
SCHEMBL2660289 1.00 EPHX1 (0.42) EPHX1HPGDTAAR1ALDH1A1SGMS2
SCHEMBL2658753 0.74 EPHX1 (0.32) EPHX1HPGDALDH1A1KMT2A
SCHEMBL2658653 0.72 SHBG (0.34) EPHX1HPGDALDH1A1KMT2AMEN1
SCHEMBL2659288 0.72 SHBG (0.34) EPHX1HPGDALDH1A1KMT2AMEN1
SCHEMBL2659785 0.72 SHBG (0.34) EPHX1HPGDALDH1A1KMT2AMEN1
SCHEMBL10942039 0.71 TSHR (0.44)
SCHEMBL4480785 0.70 EPHX2 (0.49) EPHX1HPGDTAAR1ALDH1A1SGMS2
SCHEMBL2660323 0.69 CYP1A2 (0.35) EPHX1ALDH1A1KMT2AMEN1KDM4E
SCHEMBL2659763 0.69 CYP1A2 (0.35) EPHX1ALDH1A1KMT2AMEN1KDM4E
SCHEMBL2659952 0.69 CYP1A2 (0.35) EPHX1ALDH1A1KMT2AMEN1KDM4E

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-1904466-A1 DICYCLOALKYL UREA GLUCOKINASE ACTIVATORS Novo Nordisk A/S (DK) 2008-04-02 EP disclosed
WO-2007006760-A1 DICYCLOALKYL UREA GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2007-01-18 WO disclosed