SCHEMBL3039262

SCHEMBL3039262

COC1=CC(N2CCN(C3CCN(C)CC3)CC2)=CC[CH]1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.34
L3MBTL3 Q96JM7 1/20 0.34
KDM4E B2RXH2 5/20 0.32
HRH3 Q9Y5N1 2/20 0.32
PIM1 P11309 1/20 0.32
MRGPRX2 Q96LB1 1/20 0.31
FGFR3 P22607 1/20 0.31
KCNH2 Q12809 1/20 0.31
ACVR1 Q04771 1/20 0.31
PIK3CA P42336 1/20 0.31
MTOR P42345 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL3030864 0.95 PIM1 (0.36) ALDH1A1PIM1FGFR3KCNH2ACVR1
SCHEMBL3038009 0.87 PIM1 (0.33) HRH3PIM1MRGPRX2ACVR1
SCHEMBL3035433 0.80 HRH3 (0.42) ALDH1A1HRH3TDP1
SCHEMBL3034338 0.71 TSHR (0.37) ALDH1A1KDM4EHRH3KCNH2
SCHEMBL15823491 0.67 TRPV6 (0.43) ALDH1A1L3MBTL1L3MBTL3KDM4ETDP1
SCHEMBL3033304 0.66 ALDH1A1 (0.45) ALDH1A1L3MBTL1KDM4E
SCHEMBL26042916 0.66 L3MBTL3 (0.47) ALDH1A1L3MBTL1L3MBTL3PIM1
SCHEMBL28503601 0.64 ALDH1A1 (0.41) ALDH1A1KDM4EPIM1FGFR3KCNH2
SCHEMBL3436969 0.64 L3MBTL1 (0.46) ALDH1A1L3MBTL1L3MBTL3KDM4EHRH3
SCHEMBL12772837 0.64 L3MBTL3 (0.46) ALDH1A1L3MBTL1L3MBTL3KDM4EHRH3

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-2010111406-A2 COMPOUNDS AND THERAPEUTIC USES THEREOF MYRIAD PHARMACEUTICALS, INC. (US) 2010-09-30 WO claimed