SCHEMBL7935872

SCHEMBL7935872

CC(C)(C)[C@H](Nc1nc2ccccc2o1)C(=O)N1CCC[C@H]1C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 10/20 0.45
▸ HCRTR1 O43613 7/20 0.42
▸ HCRTR2 O43614 4/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42

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
SCHEMBL7943694 0.79 ELANE (0.46) ELANEHCRTR2RAB9A
SCHEMBL8208603 0.78 ELANE (0.56) ELANEHCRTR1HCRTR2
SCHEMBL4455495 0.74 ACE (0.44) ELANEHCRTR1HCRTR2
SCHEMBL4458293 0.74 ACE (0.44) ELANEHCRTR1HCRTR2
SCHEMBL4455505 0.74 ACE (0.44) ELANEHCRTR1HCRTR2
SCHEMBL4458302 0.74 ACE (0.44) ELANEHCRTR1HCRTR2
SCHEMBL7987507 0.74 CNR2 (0.47) NPC1RAB9A
SCHEMBL7942699 0.73 THRB (0.46) ELANE
SCHEMBL16716297 0.73 CTSS (0.47) ELANEHCRTR1HCRTR2
SCHEMBL24481955 0.71 ELANE (0.42) ELANE

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-2010045266-A1 THERAPEUTIC ANTIVIRAL PEPTIDES INTERMUNE, INC. (US) 2010-04-22 — — WO disclosed
Send feedback