SCHEMBL7699247

SCHEMBL7699247

Cc1ccc2c(c1)CCC(CNCC(=O)O)C2c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.53
MTNR1B P49286 3/20 0.53
SLC6A9 P48067 1/20 0.50
PPARD Q03181 5/20 0.40
TRPM5 Q9NZQ8 1/20 0.38
PPARA Q07869 1/20 0.37
FFAR1 O14842 1/20 0.37
TACR1 P25103 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
SIGMAR1 Q99720 2/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 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
SCHEMBL31757157 0.86 SLC6A9 (0.69) MTNR1AMTNR1BSLC6A9PPARDPPARA
SCHEMBL7706108 0.86 SLC6A9 (0.69) MTNR1AMTNR1BSLC6A9PPARDPPARA
Hydrochloric Acid SCHEMBL7701267 0.85 MTNR1A (0.49) MTNR1AMTNR1BSLC6A9PPARDPPARA
Hydrochloric Acid SCHEMBL7706012 0.84 MTNR1A (0.65) MTNR1AMTNR1BSLC6A9SLC6A3SIGMAR1
Hydrochloric Acid SCHEMBL7702999 0.84 SLC6A9 (0.51) MTNR1AMTNR1BSLC6A9PPARDFFAR1
SCHEMBL7698390 0.84 SLC6A9 (0.55) MTNR1AMTNR1BSLC6A9PPARDPPARA
Hydrochloric Acid SCHEMBL7706179 0.83 MTNR1A (0.47) MTNR1AMTNR1BSLC6A9PPARDPPARA
SCHEMBL7702694 0.81 SLC6A9 (0.53) MTNR1AMTNR1BSLC6A9PPARDPPARA
Hydrochloric Acid SCHEMBL7698597 0.81 SLC6A9 (0.55) MTNR1AMTNR1BSLC6A9PPARDPPARA
Hydrochloric Acid SCHEMBL7698372 0.81 SLC6A9 (0.52) MTNR1AMTNR1BSLC6A9PPARDPPARA

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-1100769-B1 AMINOMETHYLCARBOXYLIC ACID DERIVATIVES AKZO NOBEL NV (NL) 2002-12-04 EP disclosed