SCHEMBL13484391

SCHEMBL13484391

CCC(CC)c1ncc(-c2cnccn2)o1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.39
CYP2D6 P10635 1/20 0.36
CYP19A1 P11511 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4E B2RXH2 1/20 0.33
CDC7 O00311 1/20 0.33
DBF4 Q9UBU7 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
SCHEMBL13484296 0.86 FAAH (0.36) FAAHCYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL13484327 0.80 FAAH (0.37) FAAHCYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL13484390 0.79 FAAH (0.46) FAAH
SCHEMBL13745032 0.78 FAAH (0.42) FAAHCYP2D6
SCHEMBL13484388 0.75 FAAH (0.36) FAAH
SCHEMBL13484283 0.73 CYP2D6 (0.35) CYP2D6CYP19A1CYP2C9CYP2C19KDM4E
SCHEMBL13484012 0.72 CYP1A2 (0.40) FAAHCYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL13744919 0.71 HPGDS (0.32)
SCHEMBL13484389 0.70 NOTUM (0.49) FAAHCYP2C9CYP2C19KDM4E
SCHEMBL13484392 0.70 ADRB2 (0.33)

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-7662971-B2 enzyme inhibitor for treating sleep disorders THE SCRIPPS RESEARCH INSTITUTE (US) 2010-02-16 US disclosed