SCHEMBL1122800

SCHEMBL1122800

COC(=O)c1ccc(OCCN(Cc2ccccc2)C(=O)c2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.62
RAB9A P51151 2/20 0.62
LPAR1 Q92633 3/20 0.55
LPAR5 Q9H1C0 3/20 0.55
NPC1 O15118 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
HDAC1 Q13547 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
KDM4E B2RXH2 1/20 0.49
SLC2A1 P11166 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
ALOX12 P18054 1/20 0.48
CYP2C19 P33261 1/20 0.48
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL1122947 0.87 LPAR1 (0.59) LPAR1LPAR5
SCHEMBL1123361 0.86 MAPT (0.67) MAPTRAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL6335583 0.82 MAOB (0.60) MAPTRAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL8967341 0.81 SLC2A1 (0.54) NPC1HDAC1HDAC6SLC2A1CYP3A4
SCHEMBL20249538 0.81 LTA4H (0.63) MAPTRAB9ASMN1; SMN2
SCHEMBL4364300 0.80 MAPT (0.74) MAPTRAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL1123270 0.80 ALOX5 (0.53) MAPTRAB9ALPAR1LPAR5NPC1
Hydrochloric Acid SCHEMBL8967290 0.80 SLC2A1 (0.53) NPC1HDAC1HDAC6SLC2A1CYP3A4
SCHEMBL9270086 0.79 ACHE (0.54) MAPTNPC1L3MBTL1CYP1A2CYP3A4
SCHEMBL16506845 0.79 LPAR1 (0.83) LPAR1LPAR5HDAC1HDAC6

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
EP-1644321-B1 NEW BENZAMIDES AS PPATY MODULATORS S A L V A T LAB SA (ES) 2011-02-09 EP disclosed