SCHEMBL26056926

SCHEMBL26056926

COc1cc(CCN)cc(SCC(F)F)c1OC

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 11/20 0.59
▸ HTR2C P28335 8/20 0.59
▸ HTR2B P41595 8/20 0.59
▸ CYP19A1 P11511 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ TAAR1 Q96RJ0 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ AOC3 Q16853 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ GLA P06280 1/20 0.40

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
SCHEMBL26056928 0.86 HTR2A (0.61) HTR2AHTR2CHTR2BCYP19A1KDM4E
SCHEMBL26056855 0.84 HTR2A (0.65) HTR2AHTR2CHTR2BCYP19A1KDM4E
SCHEMBL26056748 0.83 HTR2A (0.63) HTR2AHTR2CHTR2BCYP19A1KDM4E
SCHEMBL26056927 0.83 HTR2A (0.63) HTR2AHTR2CHTR2BCYP19A1KDM4E
SCHEMBL20970977 0.82 HTR2A (0.67) HTR2AHTR2CHTR2BCYP19A1KDM4E
SCHEMBL29543596 0.82 HTR2A (0.67) HTR2AHTR2CHTR2BCYP19A1KDM4E
SCHEMBL26056930 0.82 HTR2A (0.62) HTR2AHTR2CHTR2BCYP19A1KDM4E
SCHEMBL26056856 0.81 HTR2A (0.59) HTR2AHTR2CHTR2BCYP19A1KDM4E
SCHEMBL26056929 0.81 HTR2A (0.59) HTR2AHTR2CHTR2BCYP19A1KDM4E
SCHEMBL29543975 0.79 HTR2A (0.71) HTR2AHTR2CHTR2BCYP19A1KDM4E

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-2023156453-A1 PHENETHYLAMINE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE CYBIN IRL LIMITED (IE) 2023-08-24 — — WO disclosed
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