SCHEMBL14046526

SCHEMBL14046526

COC(=O)CCc1c(-c2cccc(O)c2)nc2ccc(C(=O)N(CCC(C)C)CCC(C)C)cn12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTNR1B P49286 3/20 0.41
▸ MTNR1A P48039 2/20 0.41
▸ TRPA1 O75762 1/20 0.37
▸ SLC2A1 P11166 3/20 0.36
▸ HDAC1 Q13547 1/20 0.35
▸ GABRA2 P47869 1/20 0.34
▸ GABRB2 P47870 1/20 0.34
▸ TUBB4A P04350 1/20 0.34
▸ TUBB P07437 1/20 0.34
▸ TUBA3C P0DPH7 1/20 0.34
▸ TUBA1B P68363 1/20 0.34
▸ TUBA4A P68366 1/20 0.34
▸ TUBB4B P68371 1/20 0.34
▸ TUBB3 Q13509 1/20 0.34
▸ TUBB2A Q13885 1/20 0.34
▸ TUBB8 Q3ZCM7 1/20 0.34
▸ TUBA3E Q6PEY2 1/20 0.34
▸ TUBA1A Q71U36 1/20 0.34
▸ TUBA1C Q9BQE3 1/20 0.34
▸ TUBB6 Q9BUF5 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
SCHEMBL4669886 0.91 MTNR1B (0.47) MTNR1BMTNR1ASLC2A1
SCHEMBL14046533 0.91 MTNR1A (0.39) MTNR1BMTNR1ASLC2A1HDAC1GABRA2
SCHEMBL14046552 0.91 MTNR1A (0.37) MTNR1BMTNR1ASLC2A1HDAC1GABRA2
SCHEMBL4671352 0.83 SLC2A1 (0.48) MTNR1BMTNR1ASLC2A1
SCHEMBL4669923 0.83 SLC2A1 (0.46) MTNR1BMTNR1ASLC2A1
SCHEMBL4671511 0.81 MTNR1A (0.47) MTNR1BMTNR1ASLC2A1
SCHEMBL4671517 0.81 SLC2A1 (0.44) MTNR1BMTNR1ASLC2A1
SCHEMBL4669677 0.80 SLC2A1 (0.46) MTNR1BMTNR1ASLC2A1
SCHEMBL14046585 0.77 SLC2A2 (0.41) SLC2A1GABRA2GABRB2
SCHEMBL11929563 0.77 SLC2A1 (0.47) MTNR1BMTNR1ASLC2A1

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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