Sugi Predict

Sugi Predict / Compounds / SCHEMBL9866835

SCHEMBL9866835

SCHEMBL9866835

CN1C(=O)C(NC(=O)C(Cc2ccccc2)NC(=O)OC(C)(C)C)N=C(c2ccccc2F)c2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CCKBR P32239 6/20 1.00
▸ CCKAR P32238 5/20 1.00
▸ SCN9A Q15858 12/20 0.85
▸ KCNH2 Q12809 1/20 0.58

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
SCHEMBL9868387 1.00 CCKBR (1.00) CCKBRCCKARSCN9AKCNH2
SCHEMBL9526582 0.92 SCN9A (1.00) CCKBRCCKARSCN9AKCNH2
SCHEMBL9526573 0.92 SCN9A (1.00) CCKBRCCKARSCN9AKCNH2
SCHEMBL9526577 0.92 SCN9A (1.00) CCKBRCCKARSCN9AKCNH2
SCHEMBL8746581 0.89 CCKBR (0.80) CCKBRCCKARSCN9AKCNH2
SCHEMBL8746517 0.89 CCKBR (0.80) CCKBRCCKARSCN9AKCNH2
SCHEMBL6005333 0.86 SCN9A (0.88) CCKBRCCKARSCN9AKCNH2
SCHEMBL6005336 0.86 SCN9A (0.88) CCKBRCCKARSCN9AKCNH2
SCHEMBL9293100 0.86 CCKAR (0.75) CCKBRCCKARSCN9A
SCHEMBL9292830 0.86 CCKAR (0.75) CCKBRCCKARSCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5004741-A Cholecystokinin(CCK); Treating Disorders Of The Gastrointestinal Tract, Central Nervous System And Of The Appetite Of Animals MERCK & CO., INC. (US) 1991-04-02 — — US disclosed
US-4820834-A Benzodiazepine analogs MERCK & CO., INC. (US) 1989-04-11 — — US disclosed
EP-0284256-A1 Benzodiazepine analogs MERCK & CO. INC. (US) 1988-09-28 — — EP disclosed