SCHEMBL25420145

SCHEMBL25420145

CC(N)Cn1ccc2cc(OCc3ccc(F)cc3)ccc21

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 13/20 0.66
▸ HTR2A P28223 11/20 0.66
▸ CYP1A2 P05177 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ HTR2B P41595 1/20 0.49
▸ PPARD Q03181 1/20 0.46
▸ PPARA Q07869 1/20 0.46
▸ MAOB P27338 3/20 0.45
▸ PPARG P37231 1/20 0.43

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
SCHEMBL30488389 1.00 HTR2C (0.66) HTR2CHTR2ACYP1A2CYP3A4CYP2C9
SCHEMBL25420142 1.00 HTR2C (0.66) HTR2CHTR2ACYP1A2CYP3A4CYP2C9
SCHEMBL31494797 0.87 HTR2C (0.62) HTR2CHTR2ACYP1A2CYP3A4CYP2C9
SCHEMBL25630090 0.87 HTR2C (0.62) HTR2CHTR2ACYP1A2CYP3A4CYP2C9
SCHEMBL25421755 0.86 HTR2C (0.47) HTR2CHTR2APPARDPPARAMAOB
SCHEMBL25421751 0.86 HTR2C (0.47) HTR2CHTR2APPARDPPARAMAOB
SCHEMBL30488390 0.86 HTR2C (0.47) HTR2CHTR2APPARDPPARAMAOB
SCHEMBL25420758 0.82 PPARD (0.50) HTR2CHTR2APPARDPPARAMAOB
SCHEMBL25420756 0.82 PPARD (0.50) HTR2CHTR2APPARDPPARAMAOB
SCHEMBL25630556 0.81 MAOB (0.49) PPARDPPARAMAOBPPARG

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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