SCHEMBL7129754

SCHEMBL7129754

[O]C(c1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.48
TDO2 P48775 2/20 0.48
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
ALDH1A1 P00352 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 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
SCHEMBL9240130 0.89 ALDH1A1 (0.47) IDO1TDO2HDAC3HDAC4HDAC1
SCHEMBL6204475 0.81 IDO1 (0.44) IDO1TDO2HDAC3HDAC4HDAC1
SCHEMBL1046731 0.79 IDO1 (0.42) IDO1TDO2HDAC3HDAC4HDAC1
SCHEMBL4427290 0.78 IDO1 (0.46) IDO1TDO2HDAC3HDAC4HDAC1
SCHEMBL2732165 0.78 IDO1 (0.46) IDO1TDO2HDAC3HDAC4HDAC1
SCHEMBL2092079 0.76 TSHR (0.42) IDO1TDO2ALDH1A1LMNA
SCHEMBL2489611 0.76 IDO1 (0.50) IDO1TDO2HDAC3HDAC4HDAC1
SCHEMBL18242519 0.75 AOC3 (0.39) IDO1TDO2HDAC3HDAC4HDAC1
SCHEMBL4048358 0.73 IDO1 (0.48) IDO1TDO2HDAC3HDAC4HDAC1
SCHEMBL168223 0.73 IDO1 (0.38) IDO1TDO2HDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0686635-A1 Pyridylthiazolidinecarboxylic acid amide derivatives, their preparation and their therapeutic uses Sankyo Company Limited (JP) 1995-12-13 EP claimed
US-5470851-A Antihistamine, anticoagulants SANKYO COMPANY, LIMITED (JP) 1995-11-28 US claimed
EP-0549364-A1 Pyridylthiazolidinecarboxylic acid amide derivatives, their preparation and their therapeutic uses Sankyo Company Limited (JP) 1993-06-30 EP claimed
US-6670375-B2 Particularly, 8-aza-, 8-carbo- and 8-oxo- tropanes having 6-or 7-substituents; preferred are the dopamine transporter, the serotonin transporter and the norepinephrine transporter. ORGANIX, INC. 2003-12-30 US disclosed
EP-0686635-A1 Pyridylthiazolidinecarboxylic acid amide derivatives, their preparation and their therapeutic uses Sankyo Company Limited (JP) 1995-12-13 EP disclosed
US-5470851-A Antihistamine, anticoagulants SANKYO COMPANY, LIMITED (JP) 1995-11-28 US disclosed
EP-0549364-A1 Pyridylthiazolidinecarboxylic acid amide derivatives, their preparation and their therapeutic uses Sankyo Company Limited (JP) 1993-06-30 EP disclosed