SCHEMBL3393191

SCHEMBL3393191

[CH2]C(=O)CN1CCN(c2ccc(C(C)=O)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.56
SMN1; SMN2 Q16637 1/20 0.54
ALDH1A1 P00352 3/20 0.54
MAPT P10636 3/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
MEN1 O00255 4/20 0.50
MAPK1 P28482 1/20 0.50
ABCB1 P08183 2/20 0.48
HTR7 P34969 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48

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
Hydrochloric Acid SCHEMBL1375787 0.84 KMT2A (0.59) KMT2ASMN1; SMN2ALDH1A1MAPTNPC1
SCHEMBL27615959 0.84 KMT2A (0.56) KMT2ASMN1; SMN2ALDH1A1MAPTNPC1
SCHEMBL15801114 0.83 MAPT (0.71) KMT2ASMN1; SMN2ALDH1A1MAPTNPC1
SCHEMBL17669252 0.83 MAPT (0.71) KMT2ASMN1; SMN2ALDH1A1MAPTNPC1
SCHEMBL1482373 0.82 KMT2A (0.59) KMT2ASMN1; SMN2ALDH1A1MAPTNPC1
SCHEMBL14013923 0.81 HRH3 (0.57) KMT2ASMN1; SMN2ALDH1A1MAPTNPC1
SCHEMBL3396020 0.81 REV1 (0.59) KMT2AALDH1A1MAPTMEN1MAPK1
SCHEMBL21872349 0.81 KMT2A (0.58) KMT2ASMN1; SMN2ALDH1A1MAPTNPC1
SCHEMBL11736036 0.79 DRD2 (0.60) KMT2AALDH1A1MAPTNPC1RAB9A
SCHEMBL1372140 0.78 MAPT (0.66) KMT2ASMN1; SMN2ALDH1A1MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010015703-A2 NOVEL 6-O-SUBSTITUTED 15-MEMBERED 8A- AND 9A-LACTAMS GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O. (HR) 2010-02-11 WO disclosed