SCHEMBL30200767

SCHEMBL30200767

Cc1ccc(CC(=N)NCC(C)Oc2cccc(F)c2)cc1C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 10/20 0.42
MTNR1B P49286 10/20 0.42
SLC6A4 P31645 1/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
KDM4E B2RXH2 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HPGD P15428 1/20 0.35
ATM Q13315 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
ACACB O00763 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.34

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
SCHEMBL3579104 0.77 MTNR1A (0.57) MTNR1AMTNR1BSLC6A4PPARGPPARA
SCHEMBL3579103 0.77 MTNR1A (0.57) MTNR1AMTNR1BSLC6A4PPARGPPARA
Xylamidine SCHEMBL31307218 0.75 MTNR1A (0.58) MTNR1AMTNR1BMEN1KMT2AALDH1A1
SCHEMBL31231248 0.71 MTNR1A (0.48) MTNR1AMTNR1BKMT2AHPGDALDH1A1
Xylamidine SCHEMBL30201100 0.71 MTNR1A (0.53) MTNR1AMTNR1BALDH1A1LMNA
SCHEMBL11230310 0.71 MTNR1A (0.53) MTNR1AMTNR1BSLC6A4PPARGPPARA
SCHEMBL30201012 0.70 MTNR1B (0.55) MTNR1AMTNR1BMEN1KMT2ALMNA
SCHEMBL30201980 0.70 MAPT (0.36) MTNR1AMTNR1BSLC6A4MEN1KMT2A
SCHEMBL10829122 0.67 MTNR1B (0.46) MTNR1AMTNR1BMEN1KMT2AHPGD
Xylamidine SCHEMBL123846 0.67 MTNR1A (0.50) MTNR1AMTNR1BALDH1A1

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