SCHEMBL9040702

SCHEMBL9040702

COc1ccccc1NC(=O)NC1C=C(c2ccccc2)c2ccccc2N(CC(=O)NC(C)(C)C)C1=O

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 10/20 0.51
TSHR P16473 1/20 0.47
ATM Q13315 1/20 0.47
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 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
SCHEMBL9039719 0.89 CCKBR (0.58) CCKBRTSHRTP53MAPTALDH1A1
SCHEMBL9039747 0.88 CCKBR (0.51) CCKBRTSHRATMMAPK1SMN1; SMN2
SCHEMBL9042659 0.88 CCKBR (0.51) CCKBRTP53
SCHEMBL9042632 0.86 CCKBR (0.51) CCKBR
SCHEMBL9039233 0.86 CCKBR (0.61) CCKBRMAPT
SCHEMBL9048213 0.85 CCKBR (0.51) CCKBRTSHRATMMAPK1SMN1; SMN2
SCHEMBL9043246 0.85 CCKBR (0.57) CCKBRTSHRATMMAPK1SMN1; SMN2
SCHEMBL9038467 0.84 CCKBR (0.56) CCKBRTSHRMAPK1MAPTALDH1A1
SCHEMBL9039757 0.83 CCKBR (0.58) CCKBRALDH1A1
SCHEMBL9042507 0.83 CCKBR (0.59) 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