SCHEMBL4174848

SCHEMBL4174848

COC(=O)N1CCN(c2ccc(N)c(OC)c2)CC1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.61
MAPT P10636 3/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
ALDH1A1 P00352 1/20 0.56
KMT2A Q03164 1/20 0.56
ALK Q9UM73 8/20 0.50
PDK2 Q15119 1/20 0.47
SUV39H2 Q9H5I1 1/20 0.46
CCR1 P32246 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL18812811 0.89 CYP3A4 (0.61) L3MBTL1MAPTSMN1; SMN2ALDH1A1KMT2A
SCHEMBL2205957 0.87 CASP6 (0.59) MAPTKMT2AALK
SCHEMBL13362096 0.87 HTR1A (0.51) L3MBTL1MAPTSMN1; SMN2ALDH1A1KMT2A
SCHEMBL11294977 0.87 CCR1 (0.46) L3MBTL1MAPTSMN1; SMN2ALDH1A1KMT2A
SCHEMBL1707770 0.87 MAPT (0.57) MAPTSMN1; SMN2ALDH1A1KMT2AALK
SCHEMBL4170621 0.86 MAPT (0.47) L3MBTL1MAPTSMN1; SMN2ALDH1A1KMT2A
SCHEMBL15358736 0.85 ALDH1A1 (0.53) L3MBTL1MAPTALDH1A1KMT2AMAPK1
SCHEMBL13362090 0.85 MAPT (0.48) L3MBTL1MAPTSMN1; SMN2ALDH1A1KMT2A
SCHEMBL13178104 0.84 SIRT6 (0.52) MAPTKMT2AALKCCR1MAPK1
SCHEMBL4171024 0.84 CCR1 (0.51) L3MBTL1MAPTSMN1; SMN2ALDH1A1KMT2A

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
WO-2012061299-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2012-05-10 WO disclosed
WO-2010049731-A1 PYRAZOLO- AND IMIDAZOPYRIDINYLPYRIMIDINEAMINES AS IGF-1R TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2010-05-06 WO disclosed