SCHEMBL25029903

SCHEMBL25029903

CNCCc1c[nH]c2c(C)ncc(OC(=O)CCNCCc3c[nH]c4c(C)ncc(O)c34)c12

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.36
▸ HPRT1 P00492 1/20 0.32
▸ MTNR1A P48039 1/20 0.32
▸ MTNR1B P49286 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL25987633 0.82 HTR2A (0.50) HTR2AHPRT1KDM4EALDH1A1LMNA
SCHEMBL25987632 0.81 HTR2A (0.38) HTR2AHPRT1MTNR1AMTNR1BKDM4E
SCHEMBL25029881 0.75 MTNR1A (0.35) HTR2AHPRT1MTNR1AMTNR1B
SCHEMBL25029884 0.75 HTR2A (0.43) HTR2AHPRT1KDM4EALDH1A1
SCHEMBL25791593 0.72 HTR2A (0.49) HTR2A
SCHEMBL25028250 0.64 HTR2A (0.38) HTR2AHPRT1MTNR1AMTNR1BKDM4E
SCHEMBL25030327 0.64 HTR2A (0.42) HTR2AMTNR1AMTNR1BKDM4EALDH1A1
SCHEMBL25029895 0.64 MTNR1A (0.46) HTR2AMTNR1AMTNR1BKDM4EALDH1A1
SCHEMBL31742886 0.63 HTR2A (0.65) HTR2AKDM4EALDH1A1LMNANPSR1
SCHEMBL25028249 0.63 HTR2A (0.47) HTR2AHPRT1MTNR1AMTNR1BKDM4E

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-2023018864-A1 HALLUCINOGENIC AND NON-HALLUCINOGENIC SEROTONIN RECEPTOR AGONISTS AND METHODS OF MAKING AND USING THE SAME PSILOSTERICS, LLC (US) 2023-02-16 — — WO disclosed
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