SCHEMBL11468595

SCHEMBL11468595

O=C(O)CCCc1ccc(NCCCCCCc2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.65
RXFP1 Q9HBX9 1/20 0.65
HDAC1 Q13547 2/20 0.64
HDAC3 O15379 1/20 0.64
MAPK1 P28482 1/20 0.64
ADRA1A P35348 1/20 0.64
HDAC4 P56524 1/20 0.64
SLC6A3 Q01959 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
HDAC7 Q8WUI4 1/20 0.64
HDAC2 Q92769 1/20 0.64
HDAC10 Q969S8 1/20 0.64
HDAC11 Q96DB2 1/20 0.64
HDAC8 Q9BY41 1/20 0.64
HDAC6 Q9UBN7 1/20 0.64
HDAC9 Q9UKV0 1/20 0.64
HDAC5 Q9UQL6 1/20 0.64
FFAR1 O14842 8/20 0.63
LMNA P02545 1/20 0.60
TSHR P16473 1/20 0.60

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
SCHEMBL11463317 0.88 TRPV1 (0.59) MAPTRXFP1SMN1; SMN2FFAR1LMNA
SCHEMBL11934944 0.87 FFAR1 (0.55) MAPTRXFP1HDAC1HDAC3MAPK1
SCHEMBL11229424 0.87 S1PR1 (0.62) HDAC1HDAC3MAPK1ADRA1AHDAC4
SCHEMBL11239458 0.87 S1PR1 (0.62) HDAC1HDAC3MAPK1ADRA1AHDAC4
SCHEMBL11247581 0.87 S1PR1 (0.62) HDAC1HDAC3MAPK1ADRA1AHDAC4
SCHEMBL11461308 0.86 MAPT (0.54) MAPTRXFP1HDAC1HDAC3MAPK1
SCHEMBL11248573 0.84 FFAR1 (0.86) MAPTRXFP1HDAC1HDAC3MAPK1
SCHEMBL11255743 0.84 FFAR1 (0.52) MAPTRXFP1HDAC1HDAC3MAPK1
Oxalic Acid SCHEMBL9374016 0.84 TRPV1 (0.57) MAPTRXFP1HDAC1HDAC2TRPV1
SCHEMBL11266761 0.83 HDAC1 (0.54) MAPTRXFP1HDAC1TRPV1KDM4C

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
US-4211783-A Hypolipidemic and antiatherosclerotic novel 4-(aralkyl- and heteroarylalkylamino)phenyl compounds AMERICAN CYANAMID COMPANY (US) 1980-07-08 US disclosed
EP-0003663-A2 Amino-substituted phenyl and heteroaryl compounds, process for their preparation and pharmaceutical compositions containing them AMERICAN CYANAMID COMPANY (US) 1979-08-22 EP disclosed