SCHEMBL23401092

SCHEMBL23401092

CCc1nn(C(C)C)c(-c2ccc(C)cc2)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.44
HTR2C P28335 7/20 0.44
HTR2B P41595 7/20 0.44
HEXA P06865 1/20 0.35
HEXB P07686 1/20 0.35
MAPT P10636 3/20 0.34
HTR7 P34969 1/20 0.32
USP7 Q93009 1/20 0.32
RET P07949 1/20 0.32
POLB P06746 1/20 0.31
MPO P05164 1/20 0.31
FPR1 P21462 1/20 0.31
LMNA P02545 2/20 0.31
TSHR P16473 2/20 0.31
HSD17B10 Q99714 2/20 0.31
MAPK1 P28482 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 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
SCHEMBL23403683 0.88 HTR2A (0.45) HTR2AHTR2CHTR2BMAPTHTR7
SCHEMBL23398444 0.87 HTR2A (0.43) HTR2AHTR2CHTR2BMAPTHTR7
SCHEMBL23400795 0.86 HTR2A (0.43) HTR2AHTR2CHTR2BHEXAHEXB
SCHEMBL23399601 0.86 HTR2A (0.40) HTR2AHTR2CHTR2BMAPTPOLB
SCHEMBL23402136 0.83 HEXA (0.40) HTR2CHEXAHEXBMAPTPOLB
SCHEMBL23398924 0.81 HTR2A (0.48) HTR2AHTR2CHTR2BMAPTHTR7
SCHEMBL23398607 0.81 HEXA (0.34) HTR2AHTR2CHTR2BHEXAHEXB
SCHEMBL23403240 0.80 HEXA (0.42) HTR2AHTR2CHTR2BHEXAHEXB
SCHEMBL23399225 0.80 MAPT (0.41) HTR2AHTR2CHTR2BHEXAHEXB
SCHEMBL23401165 0.80 HTR2A (0.47) HTR2AHTR2CHTR2BHTR7USP7

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