SCHEMBL28985479

SCHEMBL28985479

O=C1c2ccccc2CCN1C1CCCC1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.54
HTR2B P41595 4/20 0.54
HTR2A P28223 3/20 0.54
GRM5 P41594 6/20 0.50
HRH3 Q9Y5N1 1/20 0.49
MTR Q99707 1/20 0.48
HTR3A P46098 1/20 0.47
CYP2A6 P11509 1/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
KDM5A P29375 1/20 0.45

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
SCHEMBL7230144 0.98 HTR2C (0.52) HTR2CHTR2BHTR2AGRM5HRH3
SCHEMBL21040315 0.93 HTR2C (0.56) HTR2CHTR2BHTR2AHRH3MTR
Hydrochloric Acid SCHEMBL30321070 0.92 HTR2C (0.55) HTR2CHTR2BHTR2AHRH3MTR
SCHEMBL34468176 0.89 HTR2C (0.49) HTR2CHTR2BHTR2AGRM5HRH3
SCHEMBL723359 0.86 HTR2C (0.61) HTR2CHTR2BHTR2AKDM5A
SCHEMBL30015409 0.86 HTR2C (0.61) HTR2CHTR2BHTR2AKDM5A
SCHEMBL7514047 0.85 HTR2C (0.60) HTR2CHTR2BHTR2AMTRHTR3A
SCHEMBL13119322 0.85 HTR2C (0.60) HTR2CHTR2BHTR2AMTRHTR3A
Hydrochloric Acid SCHEMBL11737591 0.84 HTR2C (0.59) HTR2CHTR2BHTR2AKDM5A
SCHEMBL16334116 0.84 HTR2B (0.67) HTR2CHTR2BHTR2AHTR3A

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-113348011-B Method and apparatus for treating disease with biotherapeutic agents 比奥拉治疗股份有限公司 2023-04-18 CN disclosed