SCHEMBL9533402

SCHEMBL9533402

O=C(N[C@H]1N=C(c2ccccc2F)c2ccccc2N(Cc2c[nH]cn2)C1=O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKAR P32238 17/20 0.59
CCKBR P32239 17/20 0.59

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
SCHEMBL8761262 0.85 CCKAR (0.64) CCKARCCKBR
SCHEMBL7212252 0.83 CCKAR (0.64) CCKARCCKBR
SCHEMBL8746523 0.82 CCKBR (0.74) CCKARCCKBR
SCHEMBL8746525 0.82 CCKBR (0.74) CCKARCCKBR
SCHEMBL8746506 0.82 CCKBR (0.74) CCKARCCKBR
Hydrochloric Acid SCHEMBL8746524 0.81 CCKBR (0.73) CCKARCCKBR
SCHEMBL8746526 0.79 CCKBR (0.69) CCKARCCKBR
SCHEMBL8761256 0.78 CCKAR (0.62) CCKARCCKBR
SCHEMBL9120535 0.78 CCKBR (0.68) CCKARCCKBR
Hydrochloric Acid SCHEMBL9531295 0.76 CCKAR (0.44) CCKARCCKBR

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
EP-0539591-A1 BENZODIAZEPINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-05-05 EP disclosed
WO-1992001683-A1 BENZODIAZEPINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-02-06 WO disclosed