SCHEMBL30201017

SCHEMBL30201017

CC(CNC(=N)CNc1ccccc1)Oc1cccc(C(C)(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 10/20 0.45
MTNR1B P49286 10/20 0.45
FFAR1 O14842 2/20 0.41
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CTSK P43235 2/20 0.34
BCHE P06276 1/20 0.34
GRM2 Q14416 1/20 0.34

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
SCHEMBL30201042 0.86 MTNR1A (0.56) MTNR1AMTNR1BALDH1A1LMNACTSK
SCHEMBL30201393 0.85 MTNR1A (0.48) MTNR1AMTNR1BCTSK
SCHEMBL30200758 0.84 MTNR1A (0.47) MTNR1AMTNR1BALDH1A1LMNAL3MBTL1
SCHEMBL30201055 0.84 ALDH1A1 (0.47) MTNR1AMTNR1BALDH1A1LMNAL3MBTL1
Formic Acid SCHEMBL30201032 0.80 ALDH1A1 (0.46) MTNR1AMTNR1BALDH1A1LMNAL3MBTL1
SCHEMBL30200979 0.80 MTNR1A (0.47) MTNR1AMTNR1BALDH1A1L3MBTL1
SCHEMBL30201095 0.79 MTNR1A (0.52) MTNR1AMTNR1BALDH1A1LMNA
SCHEMBL30201287 0.76 MTNR1A (0.56) MTNR1AMTNR1BALDH1A1NPSR1
SCHEMBL30201025 0.76 ALDH1A1 (0.44) MTNR1AMTNR1BALDH1A1CTSK
SCHEMBL30200879 0.75 MTNR1A (0.55) MTNR1AMTNR1BALDH1A1LMNAL3MBTL1

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-2023028086-A1 COMBINATIONS OF PERIPHERAL 5-HT2A RECEPTOR ANTAGONISTS AND CENTRAL 5-HT2A RECEPTOR AGONISTS GILGAMESH PHARMACEUTICALS, INC. (US) 2023-03-02 WO disclosed