SCHEMBL8673452

SCHEMBL8673452

COc1c(C(=O)c2cccc(OCCCNC(=O)OC(C)(C)C)c2)ccc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)N2CCC(N(C)C)CC2)c1N

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
EPHX2 P34913 1/20 0.32
BTK Q06187 1/20 0.32
DRD2 P14416 5/20 0.32
DRD4 P21917 4/20 0.32
DRD3 P35462 4/20 0.32
SIGMAR1 Q99720 1/20 0.32
SUV39H2 Q9H5I1 1/20 0.31
MCHR1 Q99705 1/20 0.31
F10 P00742 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL7339161 0.91 CDK1 (0.35) DRD2SIGMAR1SUV39H2
SCHEMBL7337098 0.86 CDK1 (0.36) DRD2SIGMAR1SUV39H2
SCHEMBL7340552 0.86 CDK1 (0.36) MEN1KMT2ADRD2SIGMAR1SUV39H2
SCHEMBL7339013 0.85 AVPR2 (0.38) MEN1KMT2AEPHX2DRD2DRD4
SCHEMBL7340457 0.84 CDK1 (0.35) DRD2DRD4DRD3
SCHEMBL7342217 0.83 SIGMAR1 (0.37) MEN1KMT2AEPHX2DRD2SIGMAR1
SCHEMBL7343781 0.83 SIGMAR1 (0.35) MEN1KMT2ADRD2DRD4DRD3
SCHEMBL7778599 0.81 SIGMAR1 (0.37) MEN1KMT2ADRD2SIGMAR1SUV39H2
SCHEMBL7345595 0.79 RXFP1 (0.34) EPHX2DRD2SIGMAR1ALDH1A1
SCHEMBL7347827 0.79 MAPT (0.36) MEN1KMT2ADRD2ALDH1A1

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-0832061-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-04-01 EP disclosed