SCHEMBL13484389

SCHEMBL13484389

CCC(CC)c1ncc(-c2ccccc2)o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
CASP1 P29466 1/20 0.49
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
RXRG P48443 1/20 0.44
KDR P35968 4/20 0.44
FLT1 P17948 3/20 0.44
FLT4 P35916 3/20 0.44
RAB9A P51151 5/20 0.42
NPC1 O15118 4/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
MEN1 O00255 1/20 0.42
MITF O75030 1/20 0.42
KMT2A Q03164 1/20 0.42
FAAH O00519 3/20 0.42

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
SCHEMBL12973918 0.85 NOTUM (0.51) NOTUMALOX15TSHRCASP1RXRA
SCHEMBL10168096 0.80 ALOX15 (0.53) NOTUMALOX15TSHRCASP1RXRA
SCHEMBL13484390 0.79 FAAH (0.46) FAAH
SCHEMBL13744866 0.78 FAAH (0.46) KDRFLT1FLT4FAAHCYP2C9
SCHEMBL11666531 0.77 ALOX15 (0.50) NOTUMALOX15TSHRCASP1RXRA
SCHEMBL13484388 0.77 FAAH (0.36) TSHRFAAH
SCHEMBL9671056 0.77 NOTUM (0.46) NOTUMALOX15TSHRCASP1RXRA
SCHEMBL13484386 0.77 FAAH (0.43) ALOX15TSHRCASP1RAB9ANPC1
SCHEMBL27216984 0.77 ALOX15 (0.53) NOTUMALOX15TSHRCASP1RXRA
SCHEMBL13848614 0.76 PPARA (0.32) CREBBP

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 3 patents. 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
EP-2093220-A2 Inhibitors of fatty acid amide hydrolase The Scripps Research Institute (US) 2009-08-26 EP disclosed
EP-1549624-B1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE SCRIPPS RESEARCH INST (US) 2009-05-13 EP disclosed