SCHEMBL30201042

SCHEMBL30201042

CC(CNC(=N)CNc1ccccc1)Oc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 12/20 0.56
MTNR1B P49286 12/20 0.56
MAPT P10636 4/20 0.38
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CTSK P43235 1/20 0.37
ALDH1A1 P00352 3/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
LMNA P02545 2/20 0.37
TP53 P04637 1/20 0.37
GAA P10253 1/20 0.37
NLRP1 Q9C000 1/20 0.35

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
SCHEMBL30201393 0.89 MTNR1A (0.48) MTNR1AMTNR1BCTSK
SCHEMBL30201055 0.88 ALDH1A1 (0.47) MTNR1AMTNR1BMAPTRAB9AALDH1A1
SCHEMBL30200758 0.88 MTNR1A (0.47) MTNR1AMTNR1BALDH1A1KMT2ALMNA
SCHEMBL30200979 0.88 MTNR1A (0.47) MTNR1AMTNR1BALDH1A1KMT2AMEN1
SCHEMBL30201017 0.86 MTNR1A (0.45) MTNR1AMTNR1BCTSKALDH1A1LMNA
Formic Acid SCHEMBL30201032 0.83 ALDH1A1 (0.46) MTNR1AMTNR1BMAPTRAB9AALDH1A1
SCHEMBL30201025 0.78 ALDH1A1 (0.44) MTNR1AMTNR1BMAPTCTSKALDH1A1
SCHEMBL30201287 0.78 MTNR1A (0.56) MTNR1AMTNR1BMAPTRAB9ANPC1
SCHEMBL30200879 0.77 MTNR1A (0.55) MTNR1AMTNR1BRAB9ANPC1SMN1; SMN2
SCHEMBL30201306 0.74 MTNR1A (0.39) MTNR1AMTNR1BMAPTRAB9ANPC1

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