SCHEMBL7609912

SCHEMBL7609912

CC(O)C(NCC(c1ccc(NC(N)=O)cc1)c1ccc(NC(N)=O)cc1)Oc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.50
POLB P06746 1/20 0.45
KIF11 P52732 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
ALDH1A1 P00352 3/20 0.42
GAA P10253 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 2/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 2/20 0.41
GFER P55789 1/20 0.41
NPY5R Q15761 5/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPY2R P49146 1/20 0.38

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
SCHEMBL7615186 0.89 MAPT (0.49) POLBNPC1RAB9AALDH1A1GAA
SCHEMBL7610407 0.88 GLA (0.48) GLAPOLBKIF11NPC1RAB9A
SCHEMBL7606867 0.81 HIF1A (0.48) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL7612545 0.78 CASR (0.46) POLBNPC1RAB9AALDH1A1GAA
SCHEMBL7768377 0.77 SMN1; SMN2 (0.48) NPC1RAB9AALDH1A1GAAMEN1
SCHEMBL7612159 0.76 RAB9A (0.46) POLBNPC1RAB9AALDH1A1GAA
SCHEMBL7527009 0.75 ADRB3 (0.48) GLAPOLBNPC1RAB9AALDH1A1
SCHEMBL7613185 0.74 RAB9A (0.53) NPC1RAB9AALDH1A1GAAMEN1
Sulfuric Acid SCHEMBL7540439 0.73 SMN1; SMN2 (0.44) NPC1RAB9AALDH1A1GAAMEN1
SCHEMBL7609910 0.72 ADRB1 (0.57) MEN1KMT2AMAPT

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-1230210-A1 AMINOALCOHOL DERIVATIVES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-08-14 EP disclosed
WO-2001036375-A1 AMINOALCOHOL DERIVATIVES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-05-25 WO disclosed