SCHEMBL11516779

SCHEMBL11516779

CCCCOC(CN)CCN

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 4/20 0.61
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
ALDH1A1 P00352 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
TLR2 O60603 5/20 0.36
CYP3A4 P08684 1/20 0.36
HTT P42858 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL20040004 0.89 DNM1 (0.63) DNM1ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL10003570 0.87 DNM1 (0.50) DNM1ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL8953593 0.87 DNM1 (0.50) DNM1ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL25872066 0.81 DNM1 (0.77) DNM1ALDH1A1TLR2HTTCNR1
SCHEMBL31481827 0.81 DNM1 (0.77) DNM1ALDH1A1TLR2HTTCNR1
SCHEMBL1922643 0.81 DNM1 (0.59) DNM1ALDH1A1TLR2CNR1CNR2
SCHEMBL13978176 0.81 DNM1 (0.77) DNM1ALDH1A1TLR2HTTCNR1
SCHEMBL3502221 0.81 DNM1 (0.59) DNM1ALDH1A1TLR2CNR1CNR2
SCHEMBL2352070 0.79 DNM1 (0.62) DNM1ALDH1A1TLR2MEN1KMT2A
SCHEMBL7628426 0.79 DNM1 (0.62) DNM1ALDH1A1TLR2MEN1KMT2A

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
US-4154931-A Process for the preparation of cyclic ureas THE UPJOHN COMPANY (US) 1979-05-15 US disclosed