SCHEMBL29279526

SCHEMBL29279526

COc1cc(CCOC(N)=O)c(OC)cc1CCCCF

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 10/20 0.50
▸ TAAR1 Q96RJ0 4/20 0.44
▸ HTR2C P28335 4/20 0.44
▸ HTR2B P41595 2/20 0.44

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
SCHEMBL29279597 0.99 HTR2A (0.49) HTR2ATAAR1HTR2CHTR2B
SCHEMBL29279574 0.84 HTR2A (0.68) HTR2AHTR2CHTR2B
SCHEMBL29279556 0.82 TAAR1 (0.49) HTR2ATAAR1
SCHEMBL29279583 0.80 HTR2A (0.42) HTR2ATAAR1HTR2CHTR2B
SCHEMBL25236494 0.79 HTR2A (0.59) HTR2ATAAR1HTR2C
SCHEMBL29279550 0.79 HTR2A (0.48) HTR2ATAAR1HTR2CHTR2B
SCHEMBL27001997 0.78 HTR2A (0.71) HTR2ATAAR1HTR2CHTR2B
SCHEMBL29279544 0.78 HTR2A (0.50) HTR2ATAAR1HTR2CHTR2B
SCHEMBL29279587 0.78 HTR2A (0.50) HTR2ATAAR1HTR2CHTR2B
SCHEMBL27001990 0.77 HTR2A (0.69) HTR2ATAAR1HTR2CHTR2B

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-117642379-A Phenylalkylamines and methods of making and using the same 吉尔伽美什制药公司 2024-03-01 — — CN disclosed
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