SCHEMBL11484185

SCHEMBL11484185

CC(C)(C)CCN1CCn2cccc2C1c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.47
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 7/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
KMT2A Q03164 7/20 0.41
MEN1 O00255 5/20 0.40
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
RECQL P46063 1/20 0.39
HTT P42858 1/20 0.38
ADRA2C P18825 1/20 0.35

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
SCHEMBL11485475 0.82 MAPT (0.60) MAPTKDM4EALDH1A1L3MBTL1KMT2A
SCHEMBL6369627 0.81 MAPT (0.55) MAPTKDM4EALDH1A1L3MBTL1KMT2A
SCHEMBL11489944 0.78 MAPT (0.49) MAPTKDM4EALDH1A1L3MBTL1KMT2A
SCHEMBL13162094 0.76 ALDH1A1 (0.50) MAPTKDM4EALDH1A1L3MBTL1KMT2A
SCHEMBL2415260 0.75 ALDH1A1 (0.52) MAPTKDM4EALDH1A1L3MBTL1KMT2A
SCHEMBL3055910 0.71 ALDH1A1 (0.47) MAPTKDM4EALDH1A1L3MBTL1KMT2A
SCHEMBL2753245 0.70 ALDH1A1 (0.56) MAPTKDM4EALDH1A1L3MBTL1KMT2A
SCHEMBL2422709 0.68 ALDH1A1 (0.59) MAPTKDM4EALDH1A1L3MBTL1KMT2A
SCHEMBL2421945 0.66 ADRA2C (0.52) MAPTKDM4EALDH1A1L3MBTL1KMT2A
SCHEMBL1267065 0.65 ALDH1A1 (0.56) MAPTKDM4EALDH1A1L3MBTL1KMT2A

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
US-4188389-A 1,2,3,4-Tetrahydropyrrolo(1,2-A)pyrazines AYERST MCKENNA & HARRISON, INC. (CA) 1980-02-12 US disclosed