SCHEMBL31543676

SCHEMBL31543676

CC(=O)NCCc1c(C)[nH]c2ccc(O)cc12

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPR P35270 2/20 0.72
MTNR1A P48039 8/20 0.71
MTNR1B P49286 8/20 0.71
CYP1A2 P05177 3/20 0.62
CYP3A4 P08684 3/20 0.62
CYP2D6 P10635 3/20 0.62
CYP2C9 P11712 2/20 0.62
CYP2C19 P33261 2/20 0.62
HSD17B10 Q99714 2/20 0.62
HTR1D P28221 1/20 0.62
MAPK1 P28482 1/20 0.62
HTR7 P34969 1/20 0.62
HTR3A P46098 1/20 0.62
HTR6 P50406 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
BLM P54132 2/20 0.59
NPSR1 Q6W5P4 2/20 0.59
KDM4E B2RXH2 2/20 0.59
ALDH1A1 P00352 2/20 0.59
HPGD P15428 2/20 0.59

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
SCHEMBL31543625 1.00 SPR (0.72) SPRMTNR1AMTNR1BCYP1A2CYP3A4
SCHEMBL31543650 0.88 KDM4E (0.60) SPRMTNR1AMTNR1BCYP1A2CYP3A4
Hydrochloric Acid SCHEMBL5123956 0.86 SPR (0.74) SPRMTNR1AMTNR1BCYP1A2CYP3A4
SCHEMBL31543735 0.85 MTNR1A (0.70) SPRMTNR1AMTNR1BCYP1A2CYP3A4
SCHEMBL31543690 0.85 MTNR1A (0.72) SPRMTNR1AMTNR1BCYP1A2CYP3A4
SCHEMBL31543646 0.85 NQO2 (0.72) SPRMTNR1AMTNR1BCYP1A2CYP3A4
SCHEMBL31543672 0.85 CYP1A2 (0.57) SPRMTNR1AMTNR1BCYP1A2CYP3A4
SCHEMBL12720826 0.84 SPR (1.00) SPRMTNR1AMTNR1BCYP1A2CYP3A4
SCHEMBL31543677 0.83 MTNR1A (0.62) SPRMTNR1AMTNR1BCYP1A2CYP3A4
SCHEMBL8946916 0.83 MTNR1A (1.00) MTNR1AMTNR1BCYP1A2CYP3A4CYP2D6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025099444-A1 N-Acetylserotonin (NAS) Analogues Beckley Psytech Limited (GB) 2025-05-15 WO claimed
WO-2025099444-A1 N-Acetylserotonin (NAS) Analogues Beckley Psytech Limited (GB) 2025-05-15 WO disclosed