SCHEMBL30201393

SCHEMBL30201393

CC(CNC(=N)CNc1ccccc1)Oc1cccc(-c2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 10/20 0.48
MTNR1B P49286 10/20 0.48
CTSK P43235 3/20 0.44
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
CNR1 P21554 1/20 0.40
FFAR4 Q5NUL3 1/20 0.39

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 0.89 MTNR1A (0.56) MTNR1AMTNR1BCTSK
SCHEMBL30201055 0.87 ALDH1A1 (0.47) MTNR1AMTNR1B
SCHEMBL30200758 0.87 MTNR1A (0.47) MTNR1AMTNR1B
SCHEMBL30201017 0.85 MTNR1A (0.45) MTNR1AMTNR1BCTSK
Formic Acid SCHEMBL30201032 0.82 ALDH1A1 (0.46) MTNR1AMTNR1B
SCHEMBL30200979 0.82 MTNR1A (0.47) MTNR1AMTNR1B
SCHEMBL30201025 0.78 ALDH1A1 (0.44) MTNR1AMTNR1BCTSKCNR1
SCHEMBL30201287 0.78 MTNR1A (0.56) MTNR1AMTNR1B
SCHEMBL30200879 0.77 MTNR1A (0.55) MTNR1AMTNR1B
SCHEMBL30201012 0.75 MTNR1B (0.55) MTNR1AMTNR1B

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