SCHEMBL9854680

SCHEMBL9854680

CC(=O)NC1CCc2ccccc2C1Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 9/20 0.55
MTNR1A P48039 3/20 0.46
MTNR1B P49286 3/20 0.46
EPHX2 P34913 2/20 0.44
SLC6A9 P48067 1/20 0.44
ATM Q13315 1/20 0.44
NPY5R Q15761 1/20 0.42

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
SCHEMBL23772363 1.00 TRPV1 (0.55) TRPV1MTNR1AMTNR1BEPHX2SLC6A9
SCHEMBL9490339 0.89 TRPV1 (0.57) TRPV1EPHX2SLC6A9ATMNPY5R
SCHEMBL9854669 0.87 TRPV1 (0.53) TRPV1MTNR1AMTNR1BEPHX2SLC6A9
SCHEMBL4297282 0.81 MEN1 (0.58) TRPV1NPY5R
Bromide SCHEMBL1593622 0.80 MEN1 (0.57) TRPV1NPY5R
SCHEMBL3101298 0.79 SLC6A9 (0.50) TRPV1SLC6A9NPY5R
SCHEMBL11138133 0.77 MTNR1A (0.53) MTNR1AMTNR1B
SCHEMBL23772365 0.77 MTNR1A (0.53) MTNR1AMTNR1B
SCHEMBL7270673 0.77 MTNR1A (0.53) MTNR1AMTNR1B
SCHEMBL7273542 0.77 MTNR1A (0.53) MTNR1AMTNR1B

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
EP-0420064-A2 Substituted 2-amidotetralins as melatonin agonists and antagonists NORTHWESTERN UNIVERSITY (US) 1991-04-03 EP disclosed