SCHEMBL2176812

SCHEMBL2176812

O=C(O)c1cnc2[nH]c(CC(c3ccc(S(=O)(=O)N4CCCC4)cc3)C3CCNCC3)cc2c1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 14/20 0.42
HTR2C P28335 2/20 0.37
HTR2B P41595 2/20 0.37
GCK P35557 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL2180161 0.76 NAMPT (0.37) NAMPTTDP1
SCHEMBL2197922 0.76 GCK (0.50) NAMPTGCK
SCHEMBL2038418 0.74 KMT2A (0.38) NAMPTGCK
SCHEMBL2178622 0.64 NAMPT (0.34) NAMPTGCK
SCHEMBL1959747 0.63 GCK (0.58) GCK
SCHEMBL1959745 0.63 GCK (0.58) GCK
SCHEMBL22399279 0.62 NAMPT (0.68) NAMPT
SCHEMBL3350798 0.62 MAPT (0.72) TDP1
SCHEMBL29098532 0.61 ALDH1A1 (0.72)
SCHEMBL22399268 0.60 NAMPT (0.57) NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011080755-A1 FUSED NITROGEN HETEROCYCLIC COMPOUNDS, PROCESS OF PREPARATION AND USES THEREOF ADVINUS THERAPEUTICS PRIVATE LIMITED (IN) 2011-07-07 WO disclosed