SCHEMBL13691856

SCHEMBL13691856

CC[C@H](CN(C)C(=O)[C@H](CCN1CCCC1)NCCNC(=O)/C=C/c1ccc(Cl)cc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 6/20 0.47
▸ DRD3 P35462 6/20 0.47
▸ MC4R P32245 2/20 0.45
▸ MC5R P33032 2/20 0.45
▸ MC3R P41968 2/20 0.45
▸ MC1R Q01726 2/20 0.45
▸ BCHE P06276 1/20 0.42
▸ ACHE P22303 1/20 0.42
▸ MAPT P10636 1/20 0.41
▸ NLRP3 Q96P20 1/20 0.41
▸ AHCY P23526 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ TACR2 P21452 1/20 0.39
▸ UTS2R Q9UKP6 1/20 0.39
▸ ALOX5 P09917 1/20 0.38
▸ PYGL P06737 1/20 0.38

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
SCHEMBL13691853 0.88 MAPT (0.44) DRD2DRD3BCHEACHEMAPT
SCHEMBL13691792 0.88 DRD2 (0.52) DRD2DRD3MC4RMC5RMC3R
SCHEMBL13190970 0.87 DRD2 (0.51) DRD2DRD3MC4RMC5RMC3R
SCHEMBL13190971 0.83 MC4R (0.48) DRD2DRD3MC4RMC5RMC3R
SCHEMBL13691857 0.81 DRD2 (0.45) DRD2DRD3MEN1CYP1A2CYP2C19
SCHEMBL13689531 0.81 DRD3 (0.52) DRD2DRD3KMT2AALOX5PYGL
SCHEMBL13691855 0.80 DRD2 (0.45) DRD2DRD3AHCYMEN1KMT2A
SCHEMBL13691770 0.79 MC4R (0.47) DRD2DRD3MC4RMC5RMC3R
SCHEMBL13189115 0.79 MC4R (0.44) DRD2DRD3MC4RMC5RMC3R
SCHEMBL13190967 0.79 MAPT (0.47) DRD2DRD3BCHEACHEMAPT

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-2009105823-A1 3-AMINOALKYL-1,4-DIAZEPAN-2-ONE MELANOCORTIN-5 RECEPTOR ANTAGONISTS MIMETICA PTY LTD (AU) 2009-09-03 — — WO disclosed
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