SCHEMBL30201095

SCHEMBL30201095

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

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 10/20 0.52
MTNR1B P49286 10/20 0.52
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 2/20 0.48
MEN1 O00255 1/20 0.48
POLB P06746 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
GAA P10253 3/20 0.45
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
MAPT P10636 3/20 0.42
RXFP1 Q9HBX9 1/20 0.41
ALDH1A1 P00352 1/20 0.40
TDP1 Q9NUW8 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 0.85 MTNR1A (0.56) MTNR1AMTNR1BSMN1; SMN2GAAMAPT
SCHEMBL30200879 0.84 MTNR1A (0.55) MTNR1AMTNR1BSMN1; SMN2LMNAMEN1
SCHEMBL30201012 0.82 MTNR1B (0.55) MTNR1AMTNR1BSMN1; SMN2LMNAMEN1
SCHEMBL30201017 0.79 MTNR1A (0.45) MTNR1AMTNR1BLMNAALDH1A1
SCHEMBL30201393 0.75 MTNR1A (0.48) MTNR1AMTNR1B
SCHEMBL30201042 0.75 MTNR1A (0.56) MTNR1AMTNR1BSMN1; SMN2LMNAMEN1
SCHEMBL30200758 0.74 MTNR1A (0.47) MTNR1AMTNR1BLMNAKMT2AALDH1A1
SCHEMBL30200979 0.74 MTNR1A (0.47) MTNR1AMTNR1BMEN1KMT2AALDH1A1
SCHEMBL30201055 0.74 ALDH1A1 (0.47) MTNR1AMTNR1BLMNAKMT2AMAPT
SCHEMBL11117603 0.72 MAPT (0.56) MTNR1AMTNR1BSMN1; SMN2LMNAMEN1

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