SCHEMBL7568935

SCHEMBL7568935

CC(C)(CC(=O)Cl)c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
XBP1 P17861 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
KCNN4 O15554 3/20 0.42
ME2 P23368 1/20 0.42
ME1 P48163 1/20 0.42
ME3 Q16798 1/20 0.42
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.40
RIPK1 Q13546 2/20 0.39
CACNA1G O43497 1/20 0.39
HTR7 P34969 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HSD11B1 P28845 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
SCHEMBL7563745 0.96 MEN1 (0.41) MEN1KMT2ASMN1; SMN2NPC1MAPT
SCHEMBL10916458 0.84 KIF11 (0.38) SMN1; SMN2MAPTL3MBTL1
SCHEMBL3843042 0.82 GRIN2D (0.50) MEN1KMT2ASMN1; SMN2NPC1MAPT
SCHEMBL5765049 0.82 NPC1 (0.46) MEN1KMT2ASMN1; SMN2NPC1MAPT
SCHEMBL11535626 0.82 MEN1 (0.44) MEN1KMT2ASMN1; SMN2NPC1MAPT
SCHEMBL7566897 0.82 CYP2C19 (0.47) MEN1KMT2ASMN1; SMN2NPC1MAPT
SCHEMBL12836574 0.81 KCNN4 (0.52) MEN1KMT2ASMN1; SMN2NPC1MAPT
SCHEMBL3703335 0.80 CYP2C19 (0.53) KMT2AMAPTHTTKCNN4ME2
SCHEMBL1634658 0.79 PLOD2 (0.49) MEN1KMT2ASMN1; SMN2NPC1MAPT
SCHEMBL18111957 0.79 MAPT (0.47) MEN1KMT2ASMN1; SMN2NPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0987248-B1 Amide derivatives and their therapeutic use WELLCOME FOUND (GB) 2002-09-04 EP disclosed
EP-0699180-B1 BICYCLIC AMIDE DERIVATIVES AND THEIR USE AS MUSCLE RELAXANTS WELLCOME FOUND (GB) 2000-11-22 EP disclosed
US-6124284-A REDUCED SIDE EFFECTS GLAXO WELLCOME INC. (US) 2000-09-26 US disclosed
EP-0987248-A1 Amide derivatives and their therapeutic use THE WELLCOME FOUNDATION LIMITED (GB) 2000-03-22 EP disclosed
US-5872118-A RELAXATION OF SKELETAL MUSCLE IN SPASTIC, HYPERTONIC AND HYPERKINETIC CONDITIONS GLAXO WELLCOME INC. (US) 1999-02-16 US disclosed
CN-1041720-C Bicyclic amide derivatives, preparation method thereof, pharmaceutical composition and pharmaceutical application thereof WELLCOME FOUND (GB) 1999-01-20 CN disclosed
CN-1125938-A Bicyclic amide derivatives and their use as muscle relaxants WELLCOME FOUND (GB) 1996-07-03 CN disclosed
EP-0699180-A1 BICYCLIC AMIDE DERIVATIVES AND THEIR USE AS MUSCLE RELAXANTS THE WELLCOME FOUNDATION LIMITED (GB) 1996-03-06 EP disclosed
WO-1994026692-A1 BICYCLIC AMIDE DERIVATIVES AND THEIR USE AS MUSCLE RELAXANTS THE WELLCOME FOUNDATION LIMITED (GB) 1994-11-24 WO disclosed
WO-1994026693-A1 BICYCLIC AMIDE DERIVATIVES AND THEIR USE AS MUSCLE RELAXANTS THE WELLCOME FOUNDATION LIMITED (GB) 1994-11-24 WO disclosed
US-4073936-A Hypolipidemic allene carboxylic esters SANDOZ, INC. (US) 1978-02-14 US disclosed
US-4011339-A ANTIINFLAMMATORY AGENTS SANDOZ, INC. (US) 1977-03-08 US disclosed