SCHEMBL14046533

SCHEMBL14046533

CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(-c3cccc(O)c3)c(CCC(=O)O)n2c1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 2/20 0.39
▸ MTNR1B P49286 2/20 0.39
▸ GABRA2 P47869 1/20 0.37
▸ GABRB2 P47870 1/20 0.37
▸ SLC2A1 P11166 5/20 0.37
▸ HDAC1 Q13547 1/20 0.36
▸ TSPO P30536 2/20 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
SCHEMBL14046552 0.93 MTNR1A (0.37) MTNR1AMTNR1BGABRA2GABRB2SLC2A1
SCHEMBL14046526 0.91 MTNR1B (0.41) MTNR1AMTNR1BGABRA2GABRB2SLC2A1
SCHEMBL4671352 0.89 SLC2A1 (0.48) MTNR1AMTNR1BSLC2A1
SCHEMBL14046437 0.85 SLC2A1 (0.42) MTNR1AMTNR1BGABRA2GABRB2SLC2A1
SCHEMBL4671342 0.82 SLC2A1 (0.41) MTNR1AMTNR1BGABRA2GABRB2SLC2A1
SCHEMBL4669923 0.82 SLC2A1 (0.46) MTNR1AMTNR1BSLC2A1
SCHEMBL4669886 0.81 MTNR1B (0.47) MTNR1AMTNR1BSLC2A1
SCHEMBL4671517 0.80 SLC2A1 (0.44) MTNR1AMTNR1BSLC2A1TSPO
SCHEMBL4669677 0.79 SLC2A1 (0.46) MTNR1AMTNR1BSLC2A1
SCHEMBL4671511 0.78 MTNR1A (0.47) MTNR1AMTNR1BSLC2A1

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
WO-2008116665-A1 SUBSTITUTED IMIDAZOPYRIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR ANTAGONISTS SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2008-10-02 — — WO disclosed
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