SCHEMBL31543690

SCHEMBL31543690

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

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 10/20 0.72
MTNR1B P49286 10/20 0.72
SPR P35270 2/20 0.57
CYP1A2 P05177 2/20 0.57
CYP3A4 P08684 2/20 0.57
CYP2D6 P10635 2/20 0.57
KDM4E B2RXH2 2/20 0.57
ALDH1A1 P00352 2/20 0.57
HPGD P15428 2/20 0.57
MAPT P10636 1/20 0.57
IDO1 P14902 1/20 0.57
BLM P54132 1/20 0.57
NOTUM Q6P988 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
NQO2 P16083 3/20 0.52
CYP2C9 P11712 1/20 0.52
TSHR P16473 1/20 0.52
CYP2C19 P33261 1/20 0.52
POLB P06746 1/20 0.51
MDM2 Q00987 1/20 0.51

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
SCHEMBL31543650 0.86 KDM4E (0.60) MTNR1AMTNR1BSPRCYP1A2CYP3A4
SCHEMBL31543676 0.85 SPR (0.72) MTNR1AMTNR1BSPRCYP1A2CYP3A4
SCHEMBL31543625 0.85 SPR (0.72) MTNR1AMTNR1BSPRCYP1A2CYP3A4
SCHEMBL31543672 0.84 CYP1A2 (0.57) MTNR1AMTNR1BSPRCYP1A2CYP3A4
SCHEMBL31543646 0.84 NQO2 (0.72) MTNR1AMTNR1BSPRCYP1A2CYP3A4
SCHEMBL1311849 0.84 MTNR1A (1.00) MTNR1AMTNR1BCYP1A2CYP3A4CYP2D6
SCHEMBL26989714 0.83 MTNR1A (0.80) MTNR1AMTNR1BCYP1A2CYP3A4CYP2D6
SCHEMBL9667084 0.82 MTNR1A (0.65) MTNR1AMTNR1BCYP1A2CYP3A4HPGD
SCHEMBL31543677 0.82 MTNR1A (0.62) MTNR1AMTNR1BSPRCYP1A2CYP3A4
SCHEMBL31543670 0.82 CYP1A2 (0.58) MTNR1AMTNR1BSPRCYP1A2CYP3A4

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