SCHEMBL8812873

SCHEMBL8812873

COc1ccc(Cl)cc1C(=O)CCCCN1CCC2(CC1)CNC(=O)O2

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 13/20 0.69
▸ HTR2B P41595 13/20 0.69
▸ HTR2A P28223 12/20 0.69
▸ HTR4 Q13639 1/20 0.46

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
Hydrochloric Acid SCHEMBL8811458 0.84 HTR2C (0.71) HTR2CHTR2BHTR2AHTR4
SCHEMBL8813479 0.82 HTR2C (1.00) HTR2CHTR2BHTR2A
Hydrochloric Acid SCHEMBL8812472 0.81 HTR2C (0.62) HTR2CHTR2BHTR2AHTR4
Hydrochloric Acid SCHEMBL8810976 0.81 HTR2C (0.78) HTR2CHTR2BHTR2A
Hydrochloric Acid SCHEMBL8813505 0.80 HTR2C (0.96) HTR2CHTR2BHTR2A
Hydrochloric Acid SCHEMBL8813874 0.80 HTR2C (0.96) HTR2CHTR2BHTR2A
SCHEMBL8810778 0.80 HTR2C (0.96) HTR2CHTR2BHTR2A
SCHEMBL8574065 0.80 HTR2C (0.69) HTR2CHTR2BHTR2AHTR4
SCHEMBL8810309 0.80 HTR2C (0.84) HTR2CHTR2BHTR2A
Hydrochloric Acid SCHEMBL8809226 0.79 HTR2C (0.94) HTR2CHTR2BHTR2A

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-1997000872-A1 1,3,8-TRIAZA- AND 3,8-DIAZA-1-OXASPIRO(4,5)DECANE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 1997-01-09 — — WO disclosed
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