SCHEMBL9008683

SCHEMBL9008683

Cc1cccc(N(C(N)=O)[C@H]2N=C(C3CCCCCC3)c3ccccc3N(CCN3CCOCC3)C2=O)c1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 11/20 0.45
BDKRB1 P46663 5/20 0.40
CCKAR P32238 2/20 0.40
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
HKDC1 Q2TB90 1/20 0.39

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
SCHEMBL9008792 1.00 CCKBR (0.45) CCKBRBDKRB1CCKARMEN1POLB
SCHEMBL9008669 0.87 BDKRB1 (0.40) CCKBRBDKRB1CCKAR
SCHEMBL9008684 0.87 BDKRB1 (0.45) CCKBRBDKRB1CCKAR
SCHEMBL9008744 0.84 CCKBR (0.42) CCKBRBDKRB1CCKAR
SCHEMBL9008785 0.83 EPHX2 (0.41) CCKBR
SCHEMBL7592838 0.81 BDKRB1 (0.55) CCKBRBDKRB1CCKAR
SCHEMBL9428816 0.81 CCKBR (0.63) CCKBRBDKRB1CCKAR
SCHEMBL9272997 0.80 CCKBR (0.40) CCKBRCCKAR
SCHEMBL9008659 0.80 CCKBR (0.41) CCKBRBDKRB1KMT2A
SCHEMBL9008885 0.78 CCKBR (0.73) CCKBRBDKRB1

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 claimed