SCHEMBL7653484

SCHEMBL7653484

CCC([CH]N)c1ccc2ccccc2c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
UGT2B7 P16662 1/20 0.47
AOC3 Q16853 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ATM Q13315 1/20 0.45
SLC6A2 P23975 9/20 0.42
SLC6A4 P31645 9/20 0.42
SLC6A3 Q01959 9/20 0.42
CYP2D6 P10635 6/20 0.42
KCNH2 Q12809 6/20 0.42
CYP3A4 P08684 5/20 0.42
CYP1A2 P05177 2/20 0.41
TSHR P16473 1/20 0.41
HIF1A Q16665 1/20 0.41
CYP2A6 P11509 1/20 0.41
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40

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
SCHEMBL17892066 0.84 MEN1 (0.50) UGT2B7AOC3MEN1KMT2AATM
SCHEMBL7678705 0.82 UGT2B7 (0.47) UGT2B7AOC3MEN1KMT2AATM
SCHEMBL6008493 0.76 UGT2B7 (0.52) UGT2B7AOC3MEN1KMT2AATM
SCHEMBL7435867 0.76 UGT2B7 (0.52) UGT2B7AOC3MEN1KMT2AATM
SCHEMBL7436041 0.76 UGT2B7 (0.52) UGT2B7AOC3MEN1KMT2AATM
SCHEMBL5408505 0.75 UGT2B7 (0.55) UGT2B7AOC3MEN1KMT2AATM
SCHEMBL5401290 0.73 UGT2B7 (0.59) UGT2B7AOC3MEN1KMT2AATM
SCHEMBL16684715 0.73 UGT2B7 (0.59) UGT2B7AOC3MEN1KMT2AATM
SCHEMBL9592384 0.72 UGT2B7 (0.52) UGT2B7AOC3MEN1KMT2AATM
SCHEMBL10120474 0.72 UGT2B7 (0.62) UGT2B7AOC3MEN1KMT2AATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002514184-A 2002-05-14 JP claimed
EP-1005348-A1 NAALADASE COMPOSITIONS AND METHODS FOR TREATING GLUTAMATE ABNORMALITY AND EFFECTING NEURONAL ACTIVITY IN ANIMALS GUILFORD PHARMACEUTICALS INC. (US) 2000-06-07 EP claimed
WO-1998013046-A1 NAALADASE COMPOSITIONS AND METHODS FOR TREATING GLUTAMATE ABNORMALITY AND EFFECTING NEURONAL ACTIVITY IN ANIMALS GUILFORD PHARMACEUTICALS INC. (US) 1998-04-02 WO claimed