SCHEMBL9041968

SCHEMBL9041968

CC(C)(C)OC(=O)CN1C(=O)C(NC(=O)Nc2ccccc2Cl)C=C(c2ccccc2)c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 12/20 0.50
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
BRD4 O60885 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL9040489 0.90 CCKBR (0.47) CCKBRBRD4HDAC3HDAC1HDAC8
SCHEMBL9039747 0.89 CCKBR (0.51) CCKBRHDAC3HDAC1HDAC8HDAC6
SCHEMBL9039585 0.88 CCKBR (0.61) CCKBR
SCHEMBL9039031 0.88 CCKBR (0.50) CCKBRTP53POLB
SCHEMBL9042659 0.87 CCKBR (0.51) CCKBRTP53POLB
SCHEMBL9040311 0.85 CCKBR (0.51) CCKBR
SCHEMBL9041035 0.84 CCKBR (0.51) CCKBR
SCHEMBL9040881 0.83 CCKBR (0.51) CCKBRTP53POLB
SCHEMBL9041225 0.83 CCKBR (0.71) CCKBRTP53POLB
SCHEMBL9040062 0.83 CCKBR (0.62) CCKBR

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
EP-0703222-A1 3-AMINOAZEPINE COMPOUND AND PHARMACEUTICAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1996-03-27 EP disclosed