SCHEMBL13724467

SCHEMBL13724467

COc1ccc(C)cc1CCc1sccc1C(=O)NC(=N)N1CCN(C)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 1/20 0.43
▸ MC4R P32245 2/20 0.42
▸ SIGMAR1 Q99720 2/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ HTR1A P08908 1/20 0.38
▸ HTR1D P28221 1/20 0.38
▸ HTR1B P28222 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ TMEM97 Q5BJF2 1/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ FPR3 P25089 1/20 0.37
▸ HCN1 O60741 1/20 0.37
▸ HCN4 Q9Y3Q4 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ SLC13A5 Q86YT5 1/20 0.36

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
SCHEMBL4827523 0.90 MC4R (0.53) MC4RSIGMAR1SMN1; SMN2KMT2A
SCHEMBL13723976 0.77 MAPK8 (0.52) MAPK8MC4RKMT2AL3MBTL1SLC13A5
SCHEMBL3085659 0.74 MC4R (0.55) MC4RSMN1; SMN2KMT2A
SCHEMBL13724393 0.74 MC4R (0.44) MAPK8MC4RSMN1; SMN2KMT2A
SCHEMBL3089406 0.71 MC4R (0.49) MC4RFPR3
SCHEMBL3086877 0.71 MC4R (0.50) MC4RFPR3
SCHEMBL3084384 0.70 MC4R (0.52) MC4RSMN1; SMN2KMT2A
SCHEMBL3082690 0.69 L3MBTL1 (0.49) MC4RSMN1; SMN2KMT2AL3MBTL1
SCHEMBL3089926 0.69 MC4R (0.57) MC4RSMN1; SMN2L3MBTL1
SCHEMBL3080666 0.69 DRD2 (0.59) MC4RSIGMAR1DRD2DRD3HTR1A

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-1590338-B1 MODULATORS OF MELANOCORTIN RECEPTOR ORE PHARMACEUTICALS INC (US) 2009-08-26 — — EP disclosed
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