SCHEMBL7302228

SCHEMBL7302228

CC(C)(C)c1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.69
NPC1 O15118 3/20 0.69
SMN1; SMN2 Q16637 2/20 0.68
TRPV1 Q8NER1 1/20 0.60
HTT P42858 1/20 0.59
RAPGEF3 O95398 2/20 0.59
MAPT P10636 2/20 0.58
GAA P10253 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
HDAC3 O15379 1/20 0.57
HDAC11 Q96DB2 1/20 0.57
HDAC8 Q9BY41 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
KCNK9 Q9NPC2 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.56
MEN1 O00255 1/20 0.56
CASP3 P42574 1/20 0.56
KMT2A Q03164 1/20 0.56
SENP7 Q9BQF6 1/20 0.56
MAOA P21397 2/20 0.55

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
SCHEMBL7294922 0.87 NPC1 (0.71) RAB9ANPC1SMN1; SMN2TRPV1MAPT
SCHEMBL2679067 0.85 NPC1 (0.73) RAB9ANPC1SMN1; SMN2HTTMAPT
SCHEMBL7295519 0.84 NPC1 (0.66) RAB9ANPC1SMN1; SMN2TRPV1MAPT
SCHEMBL7300937 0.83 TRPV1 (0.60) RAB9ANPC1SMN1; SMN2TRPV1MAPT
SCHEMBL23352871 0.82 TRPV1 (0.68) RAB9ANPC1SMN1; SMN2TRPV1MAPT
SCHEMBL94560 0.82 NPC1 (0.73) RAB9ANPC1HTTMAPTNPSR1
SCHEMBL7303572 0.82 NPC1 (1.00) RAB9ANPC1SMN1; SMN2TRPV1NPSR1
SCHEMBL21146242 0.81 RAB9A (0.59) RAB9ANPC1SMN1; SMN2HTTMAPT
SCHEMBL4725605 0.80 NPC1 (0.83) RAB9ANPC1SMN1; SMN2MAPTNPSR1
SCHEMBL19157142 0.80 NPC1 (0.65) RAB9ANPC1SMN1; SMN2HTTMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0358118-B1 Phenylamides - process for their preparation as well as a drug containing those compounds BOEHRINGER MANNHEIM GMBH (DE) 1994-03-16 EP disclosed
US-5135949-A Anticoagulants BOEHRINGER MANNHEIM GMBH (DE) 1992-08-04 US disclosed
EP-0358118-A1 Phenylamides - process for their preparation as well as a drug containing those compounds Roche Diagnostics GmbH (DE) 1990-03-14 EP disclosed