SCHEMBL9649692

SCHEMBL9649692

CC(C)(C)NC(=O)C(O)c1ccc(N)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF2AK3 Q9NZJ5 2/20 0.41
KDM4E B2RXH2 3/20 0.39
HSD17B10 Q99714 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
GABRP O00591 2/20 0.39
GABRD O14764 2/20 0.39
GABRA1 P14867 2/20 0.39
GABRB1 P18505 2/20 0.39
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
GABRA5 P31644 2/20 0.39
GABRA3 P34903 2/20 0.39
GABRA2 P47869 2/20 0.39
GABRB2 P47870 2/20 0.39
GABRA4 P48169 2/20 0.39
GABRE P78334 2/20 0.39
GABRA6 Q16445 2/20 0.39
GABRG1 Q8N1C3 2/20 0.39
GABRG3 Q99928 2/20 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
SCHEMBL9646921 0.75 EIF2S1 (0.40) EIF2AK3KDM4ESMN1; SMN2EIF2S1ALOX5AP
SCHEMBL17055207 0.72 HDAC1 (0.64) HDAC1HDAC6GABRPGABRDGABRA1
SCHEMBL9769230 0.72 ADRB2 (0.51) KDM4ESMN1; SMN2
SCHEMBL9649808 0.72 ADRB2 (0.37) EIF2AK3KDM4EHSD17B10SMN1; SMN2EIF2S1
SCHEMBL9769240 0.72 ADRB2 (0.51) KDM4ESMN1; SMN2
SCHEMBL28599560 0.71 HDAC3 (0.47) KDM4EHDAC1HDAC6SMN1; SMN2ALDH1A1
SCHEMBL12669776 0.71 LMNA (0.54) KDM4EHDAC1HDAC6SMN1; SMN2ALDH1A1
SCHEMBL12669773 0.71 LMNA (0.54) KDM4EHDAC1HDAC6SMN1; SMN2ALDH1A1
SCHEMBL10688938 0.71 LMNA (0.54) KDM4EHDAC1HDAC6SMN1; SMN2ALDH1A1
SCHEMBL6469008 0.70 NOS3 (0.46) KDM4EHSD17B10HDAC1HDAC6GABRP

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0244728-B1 USE OF HETEROARYLETHYL AMINES TO STIMULATE ANIMAL GROWTH, HETEROARYLETHYL AMINES AND PROCESS FOR THEIR PREPARATION BAYER AG (DE) 1992-11-11 EP disclosed
EP-0244728-A2 Use of heteroarylethyl amines to stimulate animal growth, heteroarylethyl amines and process for their preparation BAYER AG (DE) 1987-11-11 EP disclosed