SCHEMBL7565428

SCHEMBL7565428

CCOC(=O)/C=C(/CC)c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
CASP3 P42574 1/20 0.47
TRPV1 Q8NER1 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
LMNA P02545 3/20 0.46
NPSR1 Q6W5P4 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
GAA P10253 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAOB P27338 1/20 0.40
HTR7 P34969 1/20 0.40
HPGD P15428 2/20 0.40
NPC1 O15118 2/20 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
SCHEMBL7565431 1.00 MAPT (0.47) MAPTKMT2AMEN1CASP3TRPV1
SCHEMBL7568325 0.88 HTR7 (0.45) MAPTKMT2AMEN1CASP3TRPV1
SCHEMBL7347639 0.88 PTPN1 (0.46) MAPTKMT2AMEN1CASP3TRPV1
SCHEMBL7568322 0.88 HTR7 (0.45) MAPTKMT2AMEN1CASP3TRPV1
SCHEMBL7347640 0.88 PTPN1 (0.46) MAPTKMT2AMEN1CASP3TRPV1
SCHEMBL3269701 0.83 MAPT (0.49) MAPTKMT2AMEN1CASP3TRPV1
SCHEMBL6524085 0.83 MAPT (0.50) MAPTKMT2AMEN1LMNANPSR1
SCHEMBL30040031 0.83 MAPT (0.50) MAPTKMT2AMEN1LMNANPSR1
SCHEMBL6524082 0.83 MAPT (0.50) MAPTKMT2AMEN1LMNANPSR1
SCHEMBL8092965 0.83 HDAC3 (0.49) MAPTKMT2AMEN1NPSR1CYP1A2

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 8 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
EP-0699180-A1 BICYCLIC AMIDE DERIVATIVES AND THEIR USE AS MUSCLE RELAXANTS THE WELLCOME FOUNDATION LIMITED (GB) 1996-03-06 EP disclosed
WO-1994026693-A1 BICYCLIC AMIDE DERIVATIVES AND THEIR USE AS MUSCLE RELAXANTS THE WELLCOME FOUNDATION LIMITED (GB) 1994-11-24 WO disclosed
WO-1994026692-A1 BICYCLIC AMIDE DERIVATIVES AND THEIR USE AS MUSCLE RELAXANTS THE WELLCOME FOUNDATION LIMITED (GB) 1994-11-24 WO disclosed