SCHEMBL4560587

SCHEMBL4560587

CCC(C)CCNCCNc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
ALDH1A1 P00352 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 2/20 0.36
TDP1 Q9NUW8 1/20 0.35
NPBWR1 P48145 1/20 0.35
MCHR1 Q99705 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35
KCNH2 Q12809 2/20 0.35
DRD4 P21917 3/20 0.35
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL6284685 0.89 MAPT (0.50) MAPTALDH1A1L3MBTL1KMT2ATDP1
SCHEMBL1848362 0.83 ALDH1A1 (0.47) MAPTALDH1A1L3MBTL1KMT2ATDP1
SCHEMBL10606669 0.82 ALDH1A1 (0.57) MAPTALDH1A1L3MBTL1KMT2ATDP1
SCHEMBL11040887 0.81 ALDH1A1 (0.55) MAPTALDH1A1L3MBTL1KMT2ATDP1
SCHEMBL998994 0.79 MAPT (0.67) MAPTALDH1A1L3MBTL1KMT2ATDP1
SCHEMBL11518220 0.79 MAPT (0.67) MAPTALDH1A1L3MBTL1KMT2ATDP1
SCHEMBL4560586 0.78 ALDH1A1 (0.42) MAPTALDH1A1L3MBTL1KMT2ATDP1
SCHEMBL31008679 0.77 ALDH1A1 (0.30) ALDH1A1KMT2ACYP2C19MEN1
SCHEMBL11042965 0.77 MAPT (0.48) MAPTALDH1A1L3MBTL1KMT2ATDP1
SCHEMBL7193484 0.76 ALDH1A1 (0.52) MAPTALDH1A1L3MBTL1KMT2ATDP1

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-7560460-B2 Substituted piperazines and methods of use AMGEN INC. (US) 2009-07-14 US claimed