SCHEMBL29633441

SCHEMBL29633441

NC1C(=O)CCc2ccccc21

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 6/20 0.68
HTR2A P28223 2/20 0.54
RET P07949 1/20 0.48
ACP3 P15309 1/20 0.46
IDO1 P14902 2/20 0.41

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
SCHEMBL6346261 1.00 ANPEP (0.68) ANPEPHTR2ARETACP3IDO1
SCHEMBL113822 0.84 HTR2A (0.73) ANPEPHTR2ARETACP3IDO1
SCHEMBL31165889 0.84 HTR2A (0.73) ANPEPHTR2ARETACP3IDO1
SCHEMBL28518727 0.81 ANPEP (1.00) ANPEPHTR2A
SCHEMBL18999729 0.81 ANPEP (1.00) ANPEPHTR2A
SCHEMBL9385590 0.78 ACP3 (0.48) ANPEPHTR2ARETACP3IDO1
SCHEMBL10581227 0.77 CA1 (0.46) ANPEPHTR2ARETACP3IDO1
SCHEMBL10642897 0.77 HTR2A (0.56) ANPEPHTR2ARETACP3IDO1
SCHEMBL7124003 0.77 ACP3 (0.47) ANPEPHTR2ARETACP3IDO1
SCHEMBL8901794 0.77 ACP3 (0.47) ANPEPHTR2ARETACP3IDO1

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-114206847-A Process for producing heterocyclylideneacetamide derivative 持田制药株式会社 2022-03-18 CN disclosed