SCHEMBL11032609

SCHEMBL11032609

CN(C)CCNC(=O)N1CCOCC1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.61
SMN1; SMN2 Q16637 5/20 0.49
KMT2A Q03164 5/20 0.49
MEN1 O00255 2/20 0.49
PKM P14618 1/20 0.46
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TP53 P04637 1/20 0.44
GAA P10253 1/20 0.44
ESR2 Q92731 1/20 0.44
CHRM1 P11229 1/20 0.44
MAPT P10636 1/20 0.42
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41

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
SCHEMBL30753853 0.84 KMT2A (0.45) HTTKMT2APKMCHRM1
SCHEMBL27748816 0.82 EPHX2 (0.44) HTTKMT2APKMALDH1A1CHRM1
SCHEMBL2760109 0.80 HTT (0.77) HTTSMN1; SMN2KMT2AMEN1PKM
SCHEMBL4500837 0.79 KMT2A (0.41) HTTSMN1; SMN2KMT2A
SCHEMBL13160340 0.79 ALDH1A1 (0.49) KMT2AMEN1ALDH1A1
SCHEMBL10673469 0.79 KMT2A (0.46) HTTKMT2A
SCHEMBL1446597 0.78 HTT (0.64) HTTSMN1; SMN2KMT2AMEN1PKM
SCHEMBL10750878 0.78 HTT (0.64) HTTSMN1; SMN2KMT2AMEN1PKM
SCHEMBL1446599 0.78 HTT (0.64) HTTSMN1; SMN2KMT2AMEN1PKM
SCHEMBL13451654 0.77 HTT (0.63) HTTSMN1; SMN2KMT2AMEN1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0093765-A4 2-HYDROXYPROPYLAMINE ARYL ESTER DERIVATIVES. AMERICAN HOSPITAL SUPPLY CORP (US) 1984-04-27 EP disclosed
EP-0093765-A1 2-HYDROXYPROPYLAMINE ARYL ESTER DERIVATIVES. AMERICAN HOSPITAL SUPPLY CORP (US) 1983-11-16 EP disclosed
WO-1983001770-A1 2-HYDROXYPROPYLAMINE ARYL ESTER DERIVATIVES AMERICAN HOSPITAL SUPPLY CORP (US) 1983-05-26 WO disclosed