SCHEMBL30201306

SCHEMBL30201306

CC(CNC(=N)CNc1ccccc1)Sc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 9/20 0.39
MTNR1B P49286 9/20 0.39
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
RAB9A P51151 2/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PKM P14618 1/20 0.35
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
AGTR1 P30556 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
VCP P55072 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33

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 0.74 MTNR1A (0.56) MTNR1AMTNR1BALDH1A1MAPTRAB9A
SCHEMBL30201393 0.68 MTNR1A (0.48) MTNR1AMTNR1B
SCHEMBL30200758 0.67 MTNR1A (0.47) MTNR1AMTNR1BALDH1A1LMNAKMT2A
SCHEMBL30201055 0.67 ALDH1A1 (0.47) MTNR1AMTNR1BALDH1A1MAPTRAB9A
SCHEMBL9052050 0.65 TRPA1 (0.42) MTNR1AMTNR1BALDH1A1LMNAPKM
SCHEMBL19164743 0.63 DPP7 (0.36) ALDH1A1MAPTRAB9ALMNAMEN1
SCHEMBL1453904 0.63 L3MBTL1 (0.45) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL24926752 0.62 MAPT (0.46) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL585722 0.61 MAOA (0.42) MTNR1AMTNR1BALDH1A1MAPTLMNA
SCHEMBL1674517 0.61 MAPT (0.58) ALDH1A1MAPTLMNASMN1; SMN2GAA

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