SCHEMBL4772640

SCHEMBL4772640

O=C(N1CCCCC1C(F)(F)F)N1CCCCC1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.37
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SCD5 Q86SK9 1/20 0.35
VNN1 O95497 1/20 0.35
RIPK1 Q13546 3/20 0.34
SPR P35270 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
EPHX2 P34913 1/20 0.34
ENPP2 Q13822 2/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL27873480 0.94 NAMPT (0.41) NAMPTPOLBL3MBTL1SCD5VNN1
SCHEMBL27889764 0.94 NAMPT (0.41) NAMPTPOLBL3MBTL1SCD5VNN1
SCHEMBL4780190 0.94 NAMPT (0.41) NAMPTPOLBL3MBTL1SCD5VNN1
SCHEMBL26906148 0.86 NAMPT (0.36) NAMPTPOLBL3MBTL1SCD5VNN1
SCHEMBL26131508 0.86 NAMPT (0.36) NAMPTPOLBL3MBTL1SCD5VNN1
SCHEMBL18855618 0.85 ALDH1A1 (0.43) NAMPTRIPK1HPGDCA2
SCHEMBL21057424 0.84 VNN1 (0.36) NAMPTPOLBL3MBTL1SCD5VNN1
SCHEMBL20738584 0.84 CHRM2 (0.41) NAMPTSPRGAAHPGD
SCHEMBL16794429 0.84 NAMPT (0.36) NAMPTPOLBL3MBTL1SCD5VNN1
SCHEMBL17901822 0.82 HPGD (0.44) NAMPTSCD5VNN1SPRGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1962846-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-09-03 EP claimed
WO-2007059323-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-24 WO claimed
CN-107531679-A Aromatic amides analog derivative, its preparation method and its application in medicine 江苏恒瑞医药股份有限公司 2018-01-02 CN disclosed
EP-1962846-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-09-03 EP disclosed
WO-2007059323-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-24 WO disclosed