SCHEMBL30201012

SCHEMBL30201012

COc1cccc(OC(C)CNC(=N)CNc2ccc(C)c(C)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 15/20 0.55
MTNR1A P48039 12/20 0.55
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
USP2 O75604 1/20 0.37
POLB P06746 1/20 0.37

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) MTNR1BMTNR1AMAPTNPC1RAB9A
SCHEMBL30200879 0.85 MTNR1A (0.55) MTNR1BMTNR1ANPC1LMNARAB9A
SCHEMBL30201095 0.82 MTNR1A (0.52) MTNR1BMTNR1AMAPTLMNAGAA
SCHEMBL30201025 0.77 ALDH1A1 (0.44) MTNR1BMTNR1AMAPTMEN1KMT2A
SCHEMBL30201393 0.75 MTNR1A (0.48) MTNR1BMTNR1A
SCHEMBL30201042 0.75 MTNR1A (0.56) MTNR1BMTNR1AMAPTNPC1LMNA
SCHEMBL30200979 0.74 MTNR1A (0.47) MTNR1BMTNR1AL3MBTL1MEN1KMT2A
SCHEMBL30201055 0.74 ALDH1A1 (0.47) MTNR1BMTNR1AMAPTLMNARAB9A
Xylamidine SCHEMBL31307218 0.74 MTNR1A (0.58) MTNR1BMTNR1ALMNAMEN1HTT
SCHEMBL30200758 0.74 MTNR1A (0.47) MTNR1BMTNR1ALMNAL3MBTL1KMT2A

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