SCHEMBL6607608

SCHEMBL6607608

OCCCCCOc1cnccn1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LOX P28300 1/20 0.42
AOC3 Q16853 1/20 0.42
HTR1A P08908 3/20 0.38
HTR7 P34969 3/20 0.38
NAAA Q02083 1/20 0.37
POLB P06746 1/20 0.37
LTA4H P09960 1/20 0.35
PTGS2 P35354 1/20 0.35
KDM4E B2RXH2 3/20 0.34
CYP2D6 P10635 1/20 0.33
CYP19A1 P11511 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TBXAS1 P24557 1/20 0.33
KMT2A Q03164 1/20 0.33
NAPRT Q6XQN6 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31

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
SCHEMBL16923921 0.86 POLB (0.40) LOXAOC3HTR1AHTR7NAAA
SCHEMBL674403 0.81 CYP2D6 (0.47) NAAAPOLBKDM4ECYP2D6CYP19A1
SCHEMBL897482 0.78 CYP2D6 (0.49) HTR1AHTR7NAAAPOLBKDM4E
SCHEMBL14300674 0.78 LTA4H (0.37) HTR1AHTR7NAAAPOLBLTA4H
SCHEMBL6708682 0.76 NAAA (0.39) HTR1AHTR7NAAALTA4HPTGS2
SCHEMBL4273388 0.76 CYP2D6 (0.54) HTR1AHTR7NAAALTA4HPTGS2
SCHEMBL18263363 0.76 NAAA (0.39) HTR1AHTR7NAAALTA4HPTGS2
SCHEMBL29415405 0.74 NAAA (0.41) HTR1AHTR7NAAALTA4HPTGS2
SCHEMBL18076195 0.74 NAAA (0.39) HTR1AHTR7NAAALTA4HPTGS2
SCHEMBL4278696 0.74 CYP2D6 (0.43) HTR1AHTR7NAAALTA4HPTGS2

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-6787561-B1 HYPERLIPIDEMIA, ARTERIOSCLEROSIS; ORAL ADMINISTRATION; SUPPRESSING THE FORMING OF MACROPHAGES FUJI PHOTO FILM CO., LTD. (JP) 2004-09-07 US disclosed
EP-1197493-B1 BENZIMIDAZOLE COMPOUNDS FUJI PHOTO FILM CO LTD (JP) 2004-03-24 EP disclosed
EP-1197493-A1 BENZIMIDAZOLE COMPOUNDS FUJI PHOTO FILM CO., LTD. (JP) 2002-04-17 EP disclosed