SCHEMBL7658304

SCHEMBL7658304

CCN(Cc1ccccc1F)C(=O)[C@H](Cc1ccccc1)Nc1nc2ccc(CN(Cc3ccccc3)C(=O)O)c(C)c2c(=O)o1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ELANE P08246 10/20 0.45
CTRB1 P17538 3/20 0.41
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.36
HTT P42858 2/20 0.35
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL6498222 0.92 ELANE (0.44) ELANECTRB1ALDH1A1SMN1; SMN2HTT
SCHEMBL6804366 0.91 ELANE (0.45) ELANECTRB1
SCHEMBL6802037 0.89 ELANE (0.46) ELANECTRB1ALDH1A1HTTNPSR1
SCHEMBL7841675 0.86 ELANE (0.48) ELANECTRB1
SCHEMBL6802038 0.86 ELANE (0.48) ELANECTRB1
SCHEMBL6806821 0.86 ELANE (0.47) ELANECTRB1
SCHEMBL6802565 0.86 ELANE (0.46) ELANECTRB1
SCHEMBL6803263 0.83 ELANE (0.45) ELANECTRB1
SCHEMBL6805565 0.83 ELANE (0.43) ELANECTRB1
SCHEMBL6505790 0.82 ELANE (0.44) ELANECTRB1

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
US-6380189-B1 FOR TREATING HERPES-RELATED DISORDERS G.D. SEARLE & CO. 2002-04-30 US disclosed