SCHEMBL25630563

SCHEMBL25630563

CN(C)CCn1ccc2cc(OCc3ccc(F)cc3)ccc21

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 3/20 0.53
▸ HTR2C P28335 3/20 0.53
▸ SCN9A Q15858 1/20 0.52
▸ MCHR1 Q99705 5/20 0.47
▸ BCL2 P10415 1/20 0.46
▸ MCL1 Q07820 1/20 0.46
▸ PPARD Q03181 1/20 0.46
▸ PPARA Q07869 1/20 0.46
▸ EGFR P00533 3/20 0.46
▸ MAOB P27338 3/20 0.45
▸ MAOA P21397 1/20 0.43
▸ PPARG P37231 1/20 0.43
▸ HTR1D P28221 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
SCHEMBL23956123 0.88 HTR2A (0.56) HTR2AHTR2CMCHR1HTR1D
SCHEMBL25630556 0.84 MAOB (0.49) SCN9ABCL2MCL1PPARDPPARA
SCHEMBL25421755 0.81 HTR2C (0.47) HTR2AHTR2CSCN9AMCHR1BCL2
SCHEMBL30488390 0.81 HTR2C (0.47) HTR2AHTR2CSCN9AMCHR1BCL2
SCHEMBL25421751 0.81 HTR2C (0.47) HTR2AHTR2CSCN9AMCHR1BCL2
SCHEMBL23956081 0.80 HTR2A (0.69) HTR2AHTR2CSCN9AEGFRHTR1D
Fumaric Acid SCHEMBL23927870 0.80 SRD5A2 (0.51) HTR2AHTR2CBCL2MCL1PPARD
SCHEMBL3332582 0.79 HTR2C (0.81) HTR2AHTR2CSCN9AEGFRHTR1D
SCHEMBL25420142 0.79 HTR2C (0.66) HTR2AHTR2CPPARDPPARAMAOB
SCHEMBL30488389 0.79 HTR2C (0.66) HTR2AHTR2CPPARDPPARAMAOB

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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