SCHEMBL9499994

SCHEMBL9499994

NC(=O)NCC1CCc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.54
MTNR1A P48039 8/20 0.53
MTNR1B P49286 7/20 0.53
HTR2C P28335 1/20 0.46
PRMT5 O14744 1/20 0.46
WDR77 Q9BQA1 1/20 0.46
OPRM1 P35372 3/20 0.45

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
SCHEMBL9499593 0.91 HTR6 (0.65) HTR6MTNR1AMTNR1B
SCHEMBL1567238 0.86 MTNR1A (0.55) HTR6MTNR1AMTNR1BPRMT5WDR77
SCHEMBL1567241 0.86 MTNR1A (0.55) HTR6MTNR1AMTNR1BOPRM1
SCHEMBL16130554 0.84 MTNR1A (0.72) MTNR1AMTNR1B
SCHEMBL12964162 0.82 MTNR1A (0.64) MTNR1AMTNR1B
SCHEMBL24105927 0.81 MTNR1A (0.53) MTNR1AMTNR1BPRMT5WDR77OPRM1
SCHEMBL4714587 0.79 HTR6 (0.51) HTR6MTNR1AMTNR1BPRMT5WDR77
SCHEMBL6184833 0.79 HTR6 (0.51) HTR6MTNR1AMTNR1BPRMT5WDR77
SCHEMBL21471468 0.79 MTNR1A (0.54) HTR6MTNR1AMTNR1BHTR2C
SCHEMBL4020562 0.79 MTNR1A (0.54) MTNR1AMTNR1BOPRM1

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
EP-0335375-B1 ANTIHYPERLIPIDEMIC AND ANTIATHEROSCLEROTIC COMPOUNDS AND COMPOSITIONS WARNER-LAMBERT COMPANY (US) 1993-06-09 EP claimed
EP-0335375-B1 ANTIHYPERLIPIDEMIC AND ANTIATHEROSCLEROTIC COMPOUNDS AND COMPOSITIONS WARNER-LAMBERT COMPANY (US) 1993-06-09 EP disclosed