SCHEMBL30200879

SCHEMBL30200879

COc1cccc(OC(C)CNC(=N)CNc2cccc(Cl)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 11/20 0.55
MTNR1B P49286 11/20 0.55
RAB9A P51151 3/20 0.47
LMNA P02545 2/20 0.43
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 2/20 0.42
MEN1 O00255 1/20 0.41
HPGD P15428 1/20 0.41
GFER P55789 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
FADS1 O60427 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
EGFR P00533 1/20 0.40
ERBB3 P21860 1/20 0.40

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
SCHEMBL30201287 0.88 MTNR1A (0.56) MTNR1AMTNR1BRAB9AALDH1A1NPC1
SCHEMBL30201055 0.88 ALDH1A1 (0.47) MTNR1AMTNR1BRAB9ALMNAALDH1A1
SCHEMBL30201012 0.85 MTNR1B (0.55) MTNR1AMTNR1BRAB9ALMNAL3MBTL1
SCHEMBL30201095 0.84 MTNR1A (0.52) MTNR1AMTNR1BLMNAALDH1A1MEN1
Formic Acid SCHEMBL30201032 0.83 ALDH1A1 (0.46) MTNR1AMTNR1BRAB9ALMNAALDH1A1
SCHEMBL30201025 0.79 ALDH1A1 (0.44) MTNR1AMTNR1BALDH1A1MEN1KMT2A
SCHEMBL30201393 0.77 MTNR1A (0.48) MTNR1AMTNR1B
SCHEMBL30201042 0.77 MTNR1A (0.56) MTNR1AMTNR1BRAB9ALMNAALDH1A1
SCHEMBL30200758 0.76 MTNR1A (0.47) MTNR1AMTNR1BLMNAALDH1A1L3MBTL1
SCHEMBL30200979 0.76 MTNR1A (0.47) MTNR1AMTNR1BALDH1A1L3MBTL1MEN1

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