SCHEMBL10651279

SCHEMBL10651279

CNC(=O)c1cccc(CCC(C)N)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.62
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
SCN9A Q15858 1/20 0.47
DHODH Q02127 1/20 0.46
HPGD P15428 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.45
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAP1LC3B Q9GZQ8 2/20 0.43
MAP1LC3A Q9H492 2/20 0.43
F2 P00734 1/20 0.43
F10 P00742 1/20 0.43
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
METAP2 P50579 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
SCHEMBL14131214 0.88 SLC7A5 (0.57) SLC7A5HDAC8HDAC6SCN9ADHODH
SCHEMBL16620907 0.83 ANPEP (0.55) MRGPRX4SMN1; SMN2
SCHEMBL10279297 0.82 TAS1R3 (0.61) HPGDSMN1; SMN2
SCHEMBL10563978 0.81 PLK1 (0.62) SLC7A5HDAC8HDAC6HPGDKMT2A
Hydrochloric Acid SCHEMBL10565549 0.80 PLK1 (0.60) SLC7A5HDAC8HDAC6HPGDKMT2A
SCHEMBL3414665 0.80 CYP4F2 (0.66) SLC7A5HDAC8HDAC6DHODHMRGPRX4
SCHEMBL5254691 0.80 SLC7A5 (0.57) SLC7A5HDAC8HDAC6DHODHMRGPRX4
SCHEMBL13844842 0.80 PLK1 (0.64) SLC7A5HDAC8HDAC6DHODHMRGPRX4
SCHEMBL10160020 0.78 SLC7A5 (0.68) SLC7A5HDAC8HDAC6HPGDMRGPRX4
SCHEMBL6388386 0.78 LOXL2 (0.65) SLC7A5HDAC8HDAC6DHODHMRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0157267-B1 SUBSTITUTED BENZOPYRANS, PROCESS FOR THEIR PREPARATION AND THEIR USE IN MEDICINES BAYER AG (DE) 1988-11-23 EP disclosed
US-4659737-A Substituted aminomethyl benzopyrans having anti-hypertensive activities BAYER AKTIENGESELLSCHAFT (DE) 1987-04-21 US disclosed
US-4647579-A Circulation active novel substituted 4-hydroxy-benzopyrans BAYER AKTIENGESELLSCHAFT (DE) 1987-03-03 US disclosed
EP-0157267-A2 Substituted benzopyrans, process for their preparation and their use in medicines BAYER AG (DE) 1985-10-09 EP disclosed