SCHEMBL7146259

SCHEMBL7146259

CC1(C)CCC(=O)N1c1ccc(NC(=O)Cc2ccccc2F)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.53
NPC1 O15118 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 2/20 0.48
MAPK1 P28482 1/20 0.48
CASP3 P42574 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 7/20 0.43
MEN1 O00255 6/20 0.43
HTT P42858 1/20 0.43
TNKS O95271 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
ELOVL1 Q9BW60 2/20 0.42
ANO1 Q5XXA6 2/20 0.40
SLC1A2 P43004 1/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL6140425 0.71 RAB9A (0.55) RAB9ANPC1SMN1; SMN2LMNAMAPK1
SCHEMBL6139854 0.71 RAB9A (0.49) RAB9ANPC1SMN1; SMN2LMNAMAPK1
SCHEMBL6139947 0.70 RAB9A (0.54) RAB9ANPC1SMN1; SMN2LMNAMAPK1
SCHEMBL19576953 0.69 ALDH1A1 (0.53) RAB9ANPC1SMN1; SMN2LMNAMAPK1
SCHEMBL22353072 0.68 ALDH1A1 (0.55) RAB9ANPC1SMN1; SMN2LMNAMAPK1
SCHEMBL28697076 0.68 ELOVL1 (0.52) RAB9ANPC1SMN1; SMN2LMNAMAPK1
SCHEMBL7157785 0.67 NPC1 (0.58) RAB9ANPC1SMN1; SMN2LMNAMAPK1
SCHEMBL7150740 0.67 NPC1 (0.57) RAB9ANPC1SMN1; SMN2LMNAMAPK1
SCHEMBL22352984 0.67 ALDH1A1 (0.59) RAB9ANPC1SMN1; SMN2LMNAMAPK1
SCHEMBL7153521 0.67 NPC1 (0.60) RAB9ANPC1SMN1; SMN2LMNAMAPK1

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-1351938-A1 PHENYL DERIVATIVES MERCK PATENT GmbH (DE) 2003-10-15 EP claimed
WO-2002057236-A1 PHENYL DERIVATIVES MERCK PATENT GMBH (DE) 2002-07-25 WO claimed