Sugi Predict

Sugi Predict / Compounds / SCHEMBL9008876

SCHEMBL9008876

SCHEMBL9008876

CCCN1C(=O)[C@H](NC(=O)Nc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)N=C(C2CCCCC2)c2ccccc21

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ BDKRB1 P46663 11/20 0.78
▸ CCKBR P32239 9/20 0.55

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
SCHEMBL9008722 0.89 BDKRB1 (0.88) BDKRB1CCKBR
SCHEMBL7586803 0.89 BDKRB1 (0.88) BDKRB1CCKBR
SCHEMBL7595345 0.87 BDKRB1 (0.84) BDKRB1CCKBR
SCHEMBL9008762 0.86 BDKRB1 (0.83) BDKRB1CCKBR
SCHEMBL7593227 0.86 BDKRB1 (0.82) BDKRB1CCKBR
SCHEMBL7591109 0.85 BDKRB1 (1.00) BDKRB1CCKBR
SCHEMBL12047573 0.81 BDKRB1 (0.72) BDKRB1CCKBR
SCHEMBL9008742 0.81 BDKRB1 (0.75) BDKRB1CCKBR
SCHEMBL7595853 0.81 BDKRB1 (0.84) BDKRB1CCKBR
SCHEMBL1722848 0.81 BDKRB1 (0.92) BDKRB1CCKBR

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-5556969-A Benzodiazepine derivatives MERCK SHARP & DOHME LTD. (GB) 1996-09-17 — — US disclosed