SCHEMBL29025201

SCHEMBL29025201

NCC(OP(=O)(O)O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.44
TAAR1 Q96RJ0 3/20 0.43
HTR2A P28223 1/20 0.43
CHRNB2 P17787 2/20 0.42
CHRNA4 P43681 2/20 0.42
GABBR2 O75899 2/20 0.42
GABBR1 Q9UBS5 2/20 0.42
ACP3 P15309 1/20 0.41
NOS2 P35228 1/20 0.41
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 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
SCHEMBL8149025 0.87 SRC (0.42) SRCTAAR1HTR2ACHRNB2CHRNA4
SCHEMBL5223505 0.86 HRH1 (0.47) SRCHTR2AACP3NOS2SLC6A2
SCHEMBL28980053 0.81 POLB (0.46) SRCACP3
SCHEMBL759322 0.81 POLB (0.46) SRCACP3
SCHEMBL28370463 0.81 SRC (0.44) SRCACP3
SCHEMBL15641732 0.81 CYP1A2 (0.45) SRCGABBR2GABBR1ACP3SLC6A3
SCHEMBL445039 0.80 ACP3 (0.56) SRCACP3
SCHEMBL8790003 0.80 GABBR2 (0.44) SRCGABBR2GABBR1ACP3
SCHEMBL1245324 0.80 PIN1 (0.43) SRCACP3
SCHEMBL8639009 0.80 TAAR1 (0.42) TAAR1HTR2ACHRNB2CHRNA4GABBR2

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
CN-116171987-A Efficient and stable pesticide and preparation method thereof 千沐草生物工程有限公司 2023-05-30 CN claimed