SCHEMBL6121069

SCHEMBL6121069

O=C(NC1CCCCC1)c1ccc(NC(=O)C2NCc3ccccc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.47
RAB9A P51151 6/20 0.46
NPC1 O15118 5/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
CYP1A2 P05177 1/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTR2B P41595 1/20 0.46
NAMPT P43490 7/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
KDM4E B2RXH2 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
EPHX1 P07099 2/20 0.43

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
SCHEMBL6122370 0.97 NAMPT (0.46) EPHX2RAB9ANPC1SMN1; SMN2CYP1A2
SCHEMBL6123113 0.94 SMN1; SMN2 (0.50) RAB9ANPC1SMN1; SMN2NAMPTKMT2A
SCHEMBL6121468 0.82 RORC (0.46) RAB9ASMN1; SMN2
SCHEMBL4155148 0.79 EPHX1 (0.44) SMN1; SMN2HPGDKMT2AMEN1EPHX1
SCHEMBL6121438 0.79 NAMPT (0.53) RAB9ANPC1NAMPT
Hydrochloric Acid SCHEMBL15569626 0.78 TSHR (0.48) RAB9ASMN1; SMN2HPGDKMT2AMEN1
SCHEMBL6122090 0.78 NAMPT (0.56) NAMPT
SCHEMBL6122532 0.77 NAMPT (0.59) NAMPT
SCHEMBL4164018 0.76 SMYD3 (0.43) RAB9ANPC1SMN1; SMN2CYP1A2HPGD
SCHEMBL6120508 0.76 NAMPT (0.57) RAB9ANPC1NAMPTKMT2AMEN1

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-2640698-A1 NAMPT AND ROCK INHIBITORS AbbVie Inc. (US) 2013-09-25 EP disclosed
WO-2012067965-A1 NAMPT AND ROCK INHIBITORS ABBOTT LABORATORIES (US) 2012-05-24 WO disclosed