SCHEMBL3360028

SCHEMBL3360028

S=C(Nc1ccccc1)NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 9/20 0.72
MEN1 O00255 3/20 0.67
KMT2A Q03164 3/20 0.67
RAB9A P51151 1/20 0.67
P2RX7 Q99572 2/20 0.61
EPHX1 P07099 1/20 0.61
FAAH O00519 1/20 0.57

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
SCHEMBL11693802 0.84 EPHX2 (1.00) EPHX2MEN1KMT2ARAB9AP2RX7
SCHEMBL1420838 0.83 EPHX2 (1.00) EPHX2
SCHEMBL12340071 0.82 EPHX2 (0.70) EPHX2MEN1KMT2ARAB9A
SCHEMBL12343955 0.82 EPHX2 (0.58) EPHX2MEN1KMT2ARAB9A
SCHEMBL6724207 0.80 EPHX2 (0.67) EPHX2P2RX7FAAH
SCHEMBL25447578 0.78 P2RX7 (0.77) EPHX2RAB9AP2RX7
SCHEMBL14433877 0.78 EPHX2 (0.73) EPHX2MEN1KMT2ARAB9AP2RX7
SCHEMBL5092145 0.77 P2RX7 (0.67) EPHX2MEN1KMT2ARAB9AP2RX7
SCHEMBL25447663 0.76 P2RX7 (1.00) EPHX2P2RX7
SCHEMBL15052114 0.76 EPHX1 (0.65) EPHX2MEN1KMT2ARAB9AP2RX7

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-2145873-A1 New compounds with activity that protects against the action of toxins and viruses in intracellular action mode COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2010-01-20 EP claimed
EP-2145873-A1 New compounds with activity that protects against the action of toxins and viruses in intracellular action mode COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2010-01-20 EP disclosed