SCHEMBL7709405

SCHEMBL7709405

Cc1ccc2c(c1)CCC(CN(C)CC(=O)O)C2c1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.74
MTNR1A P48039 2/20 0.46
MTNR1B P49286 2/20 0.46
SIGMAR1 Q99720 2/20 0.40
TRPM5 Q9NZQ8 1/20 0.39
PPARD Q03181 3/20 0.38
TACR1 P25103 1/20 0.37
KIF11 P52732 1/20 0.36
PPARA Q07869 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
FFAR1 O14842 1/20 0.36
SRD5A1 P18405 1/20 0.34

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
SCHEMBL1761217 1.00 SLC6A9 (0.74) SLC6A9MTNR1AMTNR1BSIGMAR1TRPM5
Lithium Ion SCHEMBL7702844 0.91 SLC6A9 (0.63) SLC6A9MTNR1AMTNR1BSIGMAR1TRPM5
SCHEMBL12591535 0.87 SLC6A9 (0.71) SLC6A9MTNR1AMTNR1BSIGMAR1TACR1
Hydrochloric Acid SCHEMBL7709388 0.86 SLC6A9 (0.72) SLC6A9MTNR1AMTNR1BSIGMAR1PPARD
SCHEMBL1761281 0.86 SLC6A9 (0.72) SLC6A9MTNR1AMTNR1BSIGMAR1PPARD
Hydrochloric Acid SCHEMBL7706074 0.85 SLC6A9 (0.70) SLC6A9MTNR1AMTNR1BSIGMAR1TACR1
Org-25935 SCHEMBL7703430 0.85 SLC6A9 (1.00) SLC6A9MTNR1AMTNR1BPPARD
Org-25935 SCHEMBL1761267 0.85 SLC6A9 (1.00) SLC6A9MTNR1AMTNR1BPPARD
SCHEMBL1761236 0.85 SLC6A9 (0.70) SLC6A9MTNR1AMTNR1BSIGMAR1PPARD
Org-25935 SCHEMBL27034881 0.85 SLC6A9 (1.00) SLC6A9MTNR1AMTNR1BPPARD

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
US-6410592-B1 THERAPY FOR CENTRAL NERVOUS SYSTEM DISORDERS, PSYCHOLOGICAL DISORDERS AKZO NOBEL N.V. (NL) 2002-06-25 US claimed