SCHEMBL30632562

SCHEMBL30632562

CN1CC(O)Cc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.51
MTNR1B P49286 2/20 0.51
NOTUM Q6P988 1/20 0.42
HTR2A P28223 4/20 0.40
HTR2C P28335 4/20 0.40
HTR2B P41595 4/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
ADRA1A P35348 1/20 0.40
HRH1 P35367 1/20 0.40
KCNH2 Q12809 1/20 0.40
AADAT Q8N5Z0 2/20 0.39
GOT1 P17174 1/20 0.39
KYAT1 Q16773 1/20 0.39
KYAT3 Q6YP21 1/20 0.39
SLC18A3 Q16572 1/20 0.38
ESR1 P03372 1/20 0.38

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
SCHEMBL1450544 1.00 MTNR1A (0.51) MTNR1AMTNR1BNOTUMHTR2AHTR2C
SCHEMBL20980913 0.78 MTNR1A (0.49) MTNR1AMTNR1BNOTUMHTR2AHTR2C
SCHEMBL13345363 0.78 MTNR1A (0.49) MTNR1AMTNR1BNOTUMHTR2AHTR2C
SCHEMBL10173839 0.78 MTNR1A (0.49) MTNR1AMTNR1BNOTUMHTR2AHTR2C
SCHEMBL430325 0.77 SLC6A2 (0.49) MTNR1AMTNR1BNOTUMHTR2AHTR2C
SCHEMBL27903505 0.77 AADAT (0.42) MTNR1AMTNR1BNOTUMHTR2AHTR2C
SCHEMBL4798469 0.77 SLC6A2 (0.49) MTNR1AMTNR1BNOTUMHTR2AHTR2C
SCHEMBL23917061 0.77 NOTUM (0.39) MTNR1AMTNR1BNOTUMHTR2AHTR2C
SCHEMBL6341407 0.77 MTNR1A (0.62) MTNR1AMTNR1BNOTUMHTR2AHTR2C
SCHEMBL11667313 0.77 MTNR1A (0.56) MTNR1AMTNR1BNOTUMESR1ESR2

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-2023192375-A1 HSD17B13 INHIBITORS AND USES THEREOF FL2022-001, INC. (US) 2023-10-05 WO disclosed