SCHEMBL8938140

SCHEMBL8938140

NC(=O)C(OCCNCc1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 3/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
KDM4E B2RXH2 2/20 0.46
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
HTR1A P08908 2/20 0.44
ADRA1D P25100 2/20 0.44
ADRA1A P35348 2/20 0.44
ADRA1B P35368 2/20 0.44
PPARG P37231 1/20 0.43
EPHX1 P07099 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
LMNA P02545 1/20 0.42

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
SCHEMBL4561509 0.80 EPHX1 (0.49) KMT2ATDP1EPHX1LMNA
SCHEMBL4561865 0.78 LMNA (0.57) ADRA1AEPHX1SIGMAR1LMNA
SCHEMBL6740564 0.77 KMT2A (0.51) KMT2AMEN1TDP1EPHX1
SCHEMBL8938105 0.77 SMN1; SMN2 (0.43) KMT2ADRD2DRD3EPHX1LMNA
SCHEMBL21644503 0.77 GLS (0.48) KMT2ADRD2DRD3EPHX1LMNA
SCHEMBL29133806 0.75 LMNA (0.57) DRD4KMT2AMEN1KDM4EDRD2
SCHEMBL20538944 0.75 LMNA (0.43) KMT2AMEN1PPARGEPHX1LMNA
SCHEMBL7556093 0.74 GLS (0.43) KMT2AMEN1KDM4EDRD2DRD3
SCHEMBL6624926 0.74 GLS (0.50) KMT2AHTR1AADRA1DADRA1AADRA1B
SCHEMBL8938149 0.74 ALDH1A1 (0.45) DRD4KDM4EDRD2DRD3TDP1

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-5502078-A Chemical compounds ZENECA LIMITED (GB) 1996-03-26 US disclosed