SCHEMBL25630090

SCHEMBL25630090

C[C@@H](N)Cn1ccc2cc(OCc3cccc(F)c3)ccc21

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 12/20 0.62
▸ HTR2A P28223 10/20 0.62
▸ MAOB P27338 5/20 0.50
▸ PPARD Q03181 1/20 0.48
▸ PPARA Q07869 1/20 0.48
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ HTR2B P41595 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
SCHEMBL31494797 1.00 HTR2C (0.62) HTR2CHTR2AMAOBPPARDPPARA
SCHEMBL30488389 0.87 HTR2C (0.66) HTR2CHTR2AMAOBPPARDPPARA
SCHEMBL25420145 0.87 HTR2C (0.66) HTR2CHTR2AMAOBPPARDPPARA
SCHEMBL25420142 0.87 HTR2C (0.66) HTR2CHTR2AMAOBPPARDPPARA
SCHEMBL25630191 0.87 MAOB (0.48) HTR2CHTR2AMAOBPPARDPPARA
SCHEMBL31494787 0.87 MAOB (0.48) HTR2CHTR2AMAOBPPARDPPARA
SCHEMBL25630091 0.81 HTR2C (0.62) HTR2CHTR2AMAOBPPARDCYP1A2
SCHEMBL31494780 0.81 HTR2C (0.62) HTR2CHTR2AMAOBPPARDCYP1A2
SCHEMBL8959698 0.78 HTR2C (1.00) HTR2CHTR2ACYP1A2CYP3A4CYP2C9
SCHEMBL8959794 0.78 HTR2C (1.00) HTR2CHTR2ACYP1A2CYP3A4CYP2C9

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-2023114238-A1 ARYLOXY PSYCHOPLASTOGENS AND USES THEREOF DELIX THERAPEUTICS, INC. (US) 2023-06-22 — — WO disclosed
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