SCHEMBL5566907

SCHEMBL5566907

NC(=O)Cc1c(C(=O)OC2CCCCC2)ccc2cc(OCCCC3CCCNC3)ccc12

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 1/20 0.41
PLA2G2A P14555 2/20 0.40
ACP1 P24666 3/20 0.36
ROCK1 Q13464 4/20 0.36
ROCK2 O75116 2/20 0.36
KCNH2 Q12809 1/20 0.36
CHEK2 O96017 1/20 0.35
IRAK4 Q9NWZ3 3/20 0.35
PRKX P51817 1/20 0.35
PRKCE Q02156 1/20 0.35
PRKCD Q05655 1/20 0.35
PRKD1 Q15139 1/20 0.35
NPY1R P25929 2/20 0.34
PARP10 Q53GL7 2/20 0.34
HTR1A P08908 1/20 0.34
HTR1D P28221 1/20 0.34
HTR1B P28222 1/20 0.34
PARP15 Q460N3 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
SCHEMBL5568081 0.88 MAP2K1 (0.42) MAP2K1ACP1ROCK1ROCK2KCNH2
SCHEMBL5568804 0.82 MAP2K1 (0.42) MAP2K1PLA2G2AACP1ROCK2IRAK4
SCHEMBL4505136 0.80 HRH3 (0.48)
SCHEMBL5566839 0.76 MAP2K1 (0.42) MAP2K1ACP1CHEK2IRAK4PARP10
SCHEMBL5563904 0.76 MAP2K1 (0.44) MAP2K1ACP1CHEK2IRAK4PARP10
SCHEMBL5561694 0.74 IRAK4 (0.43) MAP2K1ACP1CHEK2IRAK4
SCHEMBL5562276 0.73 ACP1 (0.41) MAP2K1ACP1
SCHEMBL5562248 0.72 ACP1 (0.39) MAP2K1ACP1IRAK4PARP10PARP15
SCHEMBL5561686 0.71 KMT2A (0.47) MAP2K1ACP1CHEK2
SCHEMBL5562096 0.71 ACP1 (0.50) MAP2K1ACP1ROCK2CHEK2

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-1755593-A1 NAPHTHALINE DERIVATIVES USEFUL AS HISTAMINE-3-RECEPTOR LIGANDS F.HOFFMANN-LA ROCHE AG (CH) 2007-02-28 EP disclosed
WO-2005117865-A1 NAPHTHALINE DERIVATIVES USEFUL AS HISTAMINE-3-RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2005-12-15 WO disclosed