SCHEMBL7703453

SCHEMBL7703453

CN(Cc1ccccc1)CC1CCc2cc(-c3cccs3)ccc2C1c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.48
FFAR1 O14842 1/20 0.38
GRIN2B Q13224 2/20 0.37
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
SIGMAR1 Q99720 2/20 0.36
PRMT6 Q96LA8 1/20 0.36
CHRM4 P08173 2/20 0.35
SLC6A4 P31645 1/20 0.35
MTNR1A P48039 2/20 0.34
MTNR1B P49286 2/20 0.34
CETP P11597 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33

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
SCHEMBL7703450 1.00 SLC6A9 (0.48) SLC6A9FFAR1GRIN2BHDAC3HDAC1
SCHEMBL7703449 1.00 SLC6A9 (0.48) SLC6A9FFAR1GRIN2BHDAC3HDAC1
Hydrochloric Acid SCHEMBL7711890 0.88 SLC6A9 (0.63) SLC6A9FFAR1HDAC3HDAC1HDAC2
SCHEMBL7700451 0.86 SLC6A9 (0.53) SLC6A9HDAC1SIGMAR1SLC6A4MTNR1A
SCHEMBL7700452 0.86 SLC6A9 (0.53) SLC6A9HDAC1SIGMAR1SLC6A4MTNR1A
Hydrochloric Acid SCHEMBL7711863 0.82 MTNR1A (0.43) SLC6A9FFAR1HDAC3HDAC1HDAC2
Hydrochloric Acid SCHEMBL7700184 0.82 MTNR1A (0.43) SLC6A9FFAR1HDAC3HDAC1HDAC2
Hydrochloric Acid SCHEMBL7711862 0.82 MTNR1A (0.43) SLC6A9FFAR1HDAC3HDAC1HDAC2
SCHEMBL7704263 0.82 SLC6A9 (0.55) SLC6A9FFAR1HDAC3HDAC1HDAC2
SCHEMBL7703310 0.80 SLC6A9 (0.56) SLC6A9SLC6A4MTNR1AMTNR1B

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-1100769-B1 AMINOMETHYLCARBOXYLIC ACID DERIVATIVES AKZO NOBEL NV (NL) 2002-12-04 EP disclosed
US-6410592-B1 THERAPY FOR CENTRAL NERVOUS SYSTEM DISORDERS, PSYCHOLOGICAL DISORDERS AKZO NOBEL N.V. (NL) 2002-06-25 US disclosed