SCHEMBL7703390

SCHEMBL7703390

NCC(=O)OCC1CCc2ccccc2C1c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.54
MTNR1B P49286 3/20 0.54
SLC6A9 P48067 1/20 0.43
SIGMAR1 Q99720 2/20 0.43
PRCP P42785 1/20 0.38
GAA P10253 2/20 0.38
CYP11B2 P19099 1/20 0.38
IDO1 P14902 2/20 0.36
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
RET P07949 1/20 0.35
HTR2A P28223 1/20 0.35
EDNRA P25101 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35
ALOX12 P18054 1/20 0.35

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
SCHEMBL7704449 0.84 SLC6A9 (0.65) MTNR1AMTNR1BSLC6A9
SCHEMBL7413569 0.77 LTB4R (0.41) NPSR1TRPM8EDNRALMNATP53
SCHEMBL7698345 0.77 KMT2A (0.34) MTNR1AMTNR1BGAAEDNRA
SCHEMBL7703389 0.74 MTNR1A (0.56) MTNR1AMTNR1BSLC6A9SIGMAR1CYP11B2
SCHEMBL7704407 0.73 SLC6A9 (0.60) MTNR1AMTNR1BSLC6A9SIGMAR1
SCHEMBL9510931 0.72 MTNR1A (0.63) MTNR1AMTNR1BSLC6A9SIGMAR1PRCP
SCHEMBL12591535 0.72 SLC6A9 (0.71) MTNR1AMTNR1BSLC6A9SIGMAR1CYP11B2
Hydrochloric Acid SCHEMBL7706012 0.71 MTNR1A (0.65) MTNR1AMTNR1BSLC6A9SIGMAR1GAA
Hydrochloric Acid SCHEMBL7706074 0.71 SLC6A9 (0.70) MTNR1AMTNR1BSLC6A9SIGMAR1CYP11B2
SCHEMBL1455049 0.70 IDO1 (0.56) IDO1RETHTR2A

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