Sugi Predict

Sugi Predict / Compounds / SCHEMBL9866460

SCHEMBL9866460

SCHEMBL9866460

NC(Cc1ccccc1)C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2NC1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CCKBR P32239 15/20 0.66
▸ CCKAR P32238 10/20 0.66
▸ KCNH2 Q12809 1/20 0.64
▸ NOTCH1 P46531 1/20 0.56
▸ RBPJ Q06330 1/20 0.56

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
SCHEMBL9866463 1.00 CCKBR (0.66) CCKBRCCKARKCNH2NOTCH1RBPJ
SCHEMBL9866450 1.00 CCKBR (0.66) CCKBRCCKARKCNH2NOTCH1RBPJ
SCHEMBL2521035 0.93 CCKBR (0.64) CCKBRCCKARKCNH2NOTCH1
SCHEMBL8741738 0.88 CCKBR (0.63) CCKBRCCKARNOTCH1RBPJ
SCHEMBL642034 0.88 CCKBR (0.67) CCKBRCCKAR
SCHEMBL643257 0.85 CCKBR (0.64) CCKBRCCKARNOTCH1RBPJ
SCHEMBL643277 0.83 CCKBR (0.68) CCKBRCCKAR
SCHEMBL20867074 0.82 CCKBR (0.72) CCKBRCCKAR
SCHEMBL642974 0.82 CCKBR (0.72) CCKBRCCKAR
SCHEMBL29766969 0.82 CCKBR (0.72) CCKBRCCKAR

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 2 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