SCHEMBL27658671

SCHEMBL27658671

Cc1nc(N2CCCC2)ncc1-c1cc(C(F)(F)F)ccc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 2/20 0.46
SLC6A3 Q01959 2/20 0.46
GABRA1 P14867 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.42
POLB P06746 1/20 0.42
HTT P42858 3/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 4/20 0.41
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MCHR1 Q99705 1/20 0.40
KDM4E B2RXH2 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
THRB P10828 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL16192824 0.91 TACR1 (0.46) METAP2SLC6A3GABRA1TACR1
SCHEMBL27637747 0.86 METAP2 (0.54) METAP2SLC6A3GABRA1IDH2
SCHEMBL1690261 0.80 PTGDR2 (0.52) MCHR1
SCHEMBL27658644 0.77 ALOX5AP (0.46) METAP2
SCHEMBL16192823 0.77 TACR1 (0.46) METAP2SLC6A3GABRA1SMN1; SMN2ALDH1A1
SCHEMBL27637730 0.75 GABBR2 (0.39) SMN1; SMN2ALDH1A1MAPTKDM4EMEN1
SCHEMBL5763968 0.74 METAP2 (0.53) METAP2SLC6A3GABRA1LMNAIDH2
SCHEMBL27658660 0.71 CNR2 (0.46) ALDH1A1MAPTCYP2C9CYP2C19KDM4E
SCHEMBL26077302 0.70 POLB (0.62) SMN1; SMN2POLBALDH1A1MAPT
SCHEMBL29732670 0.68 POLB (0.55) SMN1; SMN2POLBALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100575330-C Novel compounds ASTRAZENECA AB 2009-12-30 CN claimed
CN-1791572-A Novel compounds ASTRAZENECA AB (SE) 2006-06-21 CN claimed
CN-100575330-C Novel compounds ASTRAZENECA AB 2009-12-30 CN disclosed
CN-1791572-A Novel compounds ASTRAZENECA AB (SE) 2006-06-21 CN disclosed