SCHEMBL9716647

SCHEMBL9716647

O=C(O)CN(C(=O)C1CC1)c1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.74
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ACHE P22303 1/20 0.44
ALDH1A1 P00352 3/20 0.43
GLA P06280 1/20 0.43
TSHR P16473 1/20 0.43
TP53 P04637 1/20 0.41
CPB1 P15086 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
CCR5 P51681 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM3 P20309 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ADRA2C P18825 1/20 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
SCHEMBL157266 0.92 HTT (0.63) HTTMEN1KMT2AACHEALDH1A1
SCHEMBL8296765 0.78 HTT (0.47) HTTKMT2AACHETSHRCCR5
SCHEMBL7912845 0.77 HTT (0.45) HTTMEN1KMT2AACHEALDH1A1
SCHEMBL7913005 0.77 HTT (0.45) HTTMEN1KMT2AACHEALDH1A1
SCHEMBL6174617 0.77 HTT (0.46) HTTACHETSHRCHRM2CHRM3
SCHEMBL7454244 0.77 HTT (0.46) HTTMEN1KMT2ASMN1; SMN2
SCHEMBL547256 0.77 ALDH1A1 (0.52) HTTMEN1KMT2AALDH1A1GLA
SCHEMBL4415537 0.76 LTB4R2 (0.53) HTTMEN1KMT2AACHEALDH1A1
SCHEMBL3482861 0.76 HTT (0.65) HTTMEN1KMT2AACHEALDH1A1
SCHEMBL30680668 0.76 HTT (0.64) HTTMEN1KMT2AACHEALDH1A1

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
US-4757066-A Reduces renal toxicity SANKYO COMPANY LIMITED (JP) 1988-07-12 US claimed
EP-0178911-B1 COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC SANKYO COMPANY LIMITED (JP) 1992-01-22 EP disclosed
US-4757066-A Reduces renal toxicity SANKYO COMPANY LIMITED (JP) 1988-07-12 US disclosed
EP-0178911-A2 Composition containing a penem or carbapenem antibiotic SANKYO COMPANY LIMITED (JP) 1986-04-23 EP disclosed