SCHEMBL23400548

SCHEMBL23400548

Cc1ccc(-c2c(C(C)C)nn(C(C)C)c2O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 5/20 0.40
HTR2B P41595 2/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
RET P07949 1/20 0.33
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PIK3CD O00329 2/20 0.31
ABL1 P00519 2/20 0.31
EGFR P00533 2/20 0.31
HCK P08631 2/20 0.31
SRC P12931 2/20 0.31
KDR P35968 2/20 0.31
PIK3CA P42336 2/20 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
SCHEMBL23398834 0.85 GCGR (0.42) GCGRHTR2BHTR2AHTR2CMAPT
SCHEMBL23402413 0.83 GCGR (0.40) GCGRHTR2BDPP4DPP8DPP9
SCHEMBL23399862 0.83 HTR2A (0.39) GCGRHTR2BHTR2AHTR2CRET
SCHEMBL23399190 0.81 SRC (0.40) HTR2BHTR2AHTR2CRETNPC1
SCHEMBL23400065 0.81 SMN1; SMN2 (0.40) GCGRNPC1MAPTRAB9ASMN1; SMN2
SCHEMBL23402289 0.80 GCGR (0.43) GCGRDPP4DPP8DPP9MAPT
SCHEMBL23401223 0.80 GCGR (0.37) GCGRRETDPP4DPP8DPP9
SCHEMBL23399382 0.78 GCGR (0.39) GCGRDPP4DPP8DPP9NPC1
SCHEMBL23403240 0.78 HEXA (0.42) GCGRHTR2BHTR2AHTR2CRET
SCHEMBL23403688 0.76 DPP4 (0.42) HTR2BHTR2AHTR2CDPP4DPP8

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
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed