SCHEMBL27270790

SCHEMBL27270790

O=CCC1CC1c1ccncc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 15/20 0.36
HTR2B P41595 10/20 0.36
HTR2A P28223 6/20 0.36
MAOB P27338 3/20 0.36
KDM1A O60341 1/20 0.35
MAOA P21397 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
NAMPT P43490 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL13778 0.81 HTR2C (0.57) HTR2CHTR2BHTR2AMAOBKDM1A
SCHEMBL13777 0.81 HTR2C (0.57) HTR2CHTR2BHTR2AMAOBKDM1A
SCHEMBL25254330 0.81 HTR2C (0.57) HTR2CHTR2BHTR2AMAOBKDM1A
SCHEMBL22158730 0.80 CYP2A6 (0.53) MAOBKDM1AMAOA
SCHEMBL22158732 0.80 CYP2A6 (0.53) MAOBKDM1AMAOA
SCHEMBL6250926 0.78 KDM1A (0.43) HTR2CHTR2BHTR2AMAOBKDM1A
SCHEMBL6251810 0.77 HTR2C (0.61) HTR2CHTR2BHTR2AMAOBKDM1A
SCHEMBL25004709 0.75 HTR2C (0.41) HTR2CHTR2BHTR2AMAOBKDM1A
SCHEMBL15255147 0.75 HTR2C (0.64) HTR2CHTR2BHTR2AMAOBSLC6A2
SCHEMBL25053928 0.75 HTR2C (0.41) HTR2CHTR2BHTR2AMAOBKDM1A

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
WO-2024130065-A1 SUBSTITUTED DIHYDROPYRROLO[3, 4-D]PYRIMIDINE COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS Karuna Therapeutics, Inc. (US) 2024-06-20 WO disclosed