SCHEMBL7849508

SCHEMBL7849508

CCN(CC)C(=O)[C@H](Cc1ccccc1)Nc1nc2ccc(NC(=O)O)c(C)c2c(=O)o1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 7/20 0.56
ELANE P08246 18/20 0.52

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
SCHEMBL7844661 0.90 CTRB1 (0.49) CTRB1ELANE
SCHEMBL7438567 0.86 ELANE (0.63) CTRB1ELANE
SCHEMBL6500582 0.84 ELANE (0.49) CTRB1ELANE
SCHEMBL7841675 0.84 ELANE (0.48) CTRB1ELANE
SCHEMBL7831058 0.83 CTRB1 (0.51) CTRB1ELANE
SCHEMBL7838623 0.83 CTRB1 (0.50) CTRB1ELANE
SCHEMBL6507450 0.82 ELANE (0.47) CTRB1ELANE
SCHEMBL6802038 0.80 ELANE (0.48) CTRB1ELANE
SCHEMBL6499604 0.80 CTRB1 (0.56) CTRB1ELANE
SCHEMBL6802565 0.80 ELANE (0.46) CTRB1ELANE

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
EP-0828721-B1 2-AMINO-BENZOXAZINONES FOR THE TREATMENT OF VIRAL INFECTIONS SEARLE & CO (US) 2001-11-14 EP claimed