SCHEMBL3476641

SCHEMBL3476641

O=C1Cc2cc(Cc3ccc4oc(NC5CCCCC5)nc4c3)ccc2N1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.48
FAAH O00519 8/20 0.43
ELANE P08246 2/20 0.43
EPHX2 P34913 1/20 0.41
SMYD3 Q9H7B4 1/20 0.40
PIK3CA P42336 1/20 0.40
SYK P43405 1/20 0.38
CDC7 O00311 1/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
DBF4 Q9UBU7 1/20 0.37
HTR1A P08908 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36

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
SCHEMBL3477976 0.78 FAAH (0.54) HDAC6FAAHELANEPIK3CA
SCHEMBL13436727 0.74 FAAH (0.54) HDAC6FAAHELANEPIK3CASYK
SCHEMBL3477848 0.72 FAAH (0.58) HDAC6FAAHELANEPIK3CA
SCHEMBL13436723 0.72 FAAH (0.58) HDAC6FAAHELANEPIK3CA
SCHEMBL16380661 0.69 FAAH (0.63) HDAC6FAAHELANEPIK3CA
SCHEMBL13436761 0.69 HDAC6 (0.62) HDAC6FAAHELANEPIK3CA
SCHEMBL3477494 0.68 FAAH (0.60) HDAC6FAAHELANEPIK3CACDC7
SCHEMBL3477307 0.68 FAAH (0.66) HDAC6FAAHELANEPIK3CA
SCHEMBL3475830 0.67 FAAH (0.64) HDAC6FAAHPIK3CA
SCHEMBL3477409 0.67 FAAH (0.71) HDAC6FAAHELANEPIK3CA

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
WO-2010039186-A2 COMPOUNDS USEFUL AS FAAH MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2010-04-08 WO disclosed