SCHEMBL8934367

SCHEMBL8934367

CC1Cc2ccccc2C(OCCN(C)CCC(=O)O)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 9/20 0.42
RET P07949 1/20 0.39
KMT2A Q03164 1/20 0.37
PYGL P06737 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
HTR2C P28335 1/20 0.34
SLC6A3 Q01959 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
NOTUM Q6P988 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
SCHEMBL8934321 0.93 LTA4H (0.40) LTA4HRETPYGLHTR2CSLC6A3
SCHEMBL9080768 0.87 LTA4H (0.46) LTA4HRETKMT2AHTR2CSLC6A3
SCHEMBL8934363 0.86 MTNR1A (0.41) LTA4HRETKMT2AMTNR1AMTNR1B
SCHEMBL8934364 0.80 MTNR1A (0.39) LTA4HRETKMT2AMTNR1AMTNR1B
SCHEMBL9081168 0.80 HTR2C (0.47) LTA4HRETHTR2CSLC6A3
SCHEMBL8934341 0.79 LTA4H (0.40) LTA4HRETKMT2A
SCHEMBL9080775 0.75 HTR2C (0.47) LTA4HRETHTR2CSLC6A3
SCHEMBL8934441 0.73 NR1I2 (0.43) LTA4HRETKMT2A
SCHEMBL8934348 0.73 SLC6A4 (0.39) LTA4HRETKMT2AHTR2CSLC6A3
SCHEMBL9093322 0.72 LTA4H (0.47) LTA4H

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-1996031480-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1996-10-10 WO disclosed