SCHEMBL21883968

SCHEMBL21883968

CC[C@@H]1NCCc2c1[nH]c1ccccc21

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.70
HTR2A P28223 5/20 0.68
HTR2C P28335 5/20 0.68
HTR7 P34969 8/20 0.63
CHRM4 P08173 5/20 0.63
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C19 P33261 1/20 0.60
CTSK P43235 1/20 0.60
DRD2 P14416 3/20 0.59
MAPKAPK2 P49137 1/20 0.56

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
SCHEMBL8322968 1.00 GRIN2B (0.70) GRIN2BHTR2AHTR2CHTR7CHRM4
SCHEMBL29756361 1.00 GRIN2B (0.70) GRIN2BHTR2AHTR2CHTR7CHRM4
SCHEMBL5532807 0.85 GRIN2B (0.70) GRIN2BHTR2AHTR2CHTR7CHRM4
SCHEMBL10924004 0.85 GRIN2B (0.70) GRIN2BHTR2AHTR2CHTR7CHRM4
SCHEMBL14892998 0.85 GRIN2B (0.62) GRIN2BHTR2AHTR2CHTR7CHRM4
SCHEMBL18669422 0.84 GRIN2B (0.65) GRIN2BHTR2AHTR2CHTR7CHRM4
Xestoamine SCHEMBL2271935 0.84 GRIN2B (0.65) GRIN2BHTR2AHTR2CHTR7CHRM4
Xestoamine SCHEMBL6087465 0.83 GRIN2B (0.64) GRIN2BHTR2AHTR2CHTR7CHRM4
Fenharmane SCHEMBL9695673 0.82 GRIN2B (1.00) GRIN2BHTR2AHTR2CHTR7CHRM4
SCHEMBL24506125 0.82 GRIN2B (0.62) GRIN2BHTR2AHTR2CHTR7CHRM4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3459950-B1 TETRAHYDRO-BETA-CARBOLINE ALKALOID DERIVATIVES, METHOD FOR PREPARING THE SAME AND USE IN ASPECTS OF PREVENTING AND TREATING PLANT VIRUSES, AS FUNGICIDES AND INSECTICIDES JINGBO AGROCHEMICALS TECH CO LTD (CN) 2022-05-18 EP disclosed
EP-3459951-B1 TETRAHYDRO-BETA-CARBOLINE ALKALOID DERIVATIVES, METHOD FOR PREPARING THE SAME AND USE IN ASPECTS OF PREVENTING AND TREATING PLANT VIRUSES, AS FUNGICIDES AND INSECTICIDES JINGBO AGROCHEMICALS TECH CO LTD (CN) 2022-05-11 EP disclosed
EP-3255044-B1 DIAZA-BENZOFLUORANTHRENE COMPOUNDS HARBIN PHARMACEUTICAL GROUP CO LTD GENERAL PHARMACEUTICAL FACTORY (CN) 2020-04-01 EP disclosed