SCHEMBL21153907

SCHEMBL21153907

CC(N)Cc1nccn1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TSHR P16473 1/20 0.39
OPRK1 P41145 1/20 0.39
LPO P22079 1/20 0.39
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
SLC6A2 P23975 2/20 0.33
TAAR1 Q96RJ0 2/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAOA P21397 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
GRIK1 P39086 1/20 0.33
GRIK2 Q13002 1/20 0.33
GRIK3 Q13003 1/20 0.33

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
SCHEMBL15302878 0.91 OPRK1 (0.38) FDPSMEN1KMT2ATSHROPRK1
SCHEMBL3979171 0.83 FDPS (0.43) FDPSMEN1KMT2ATSHROPRK1
Hydrochloric Acid SCHEMBL16540554 0.82 TSHR (0.43) FDPSMEN1KMT2ATSHROPRK1
SCHEMBL13916698 0.81 FDPS (0.44) FDPSMEN1KMT2ATSHROPRK1
SCHEMBL15841815 0.81 FDPS (0.39) FDPSMEN1KMT2ATSHROPRK1
SCHEMBL27787033 0.80 FDPS (0.41) FDPSMEN1KMT2ATSHROPRK1
SCHEMBL6242617 0.80 FDPS (0.45) FDPSMEN1KMT2ATSHROPRK1
SCHEMBL20278968 0.79 FDPS (0.41) FDPSMEN1KMT2ATSHROPRK1
SCHEMBL20153137 0.78 FDPS (0.40) FDPSMEN1KMT2ATSHROPRK1
SCHEMBL27594980 0.78 FDPS (0.37) FDPSMEN1KMT2ATSHROPRK1

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-2019136093-A1 INHIBITORS OF LOW MOLECULAR WEIGHT PROTEIN TYROSINE PHOSPHATASE (LMPTP) AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute (US) 2019-07-11 WO disclosed