SCHEMBL13190970

SCHEMBL13190970

CN(CC(c1ccccc1)c1ccccc1)C(=O)[C@H](CCCN1CCCCC1)NCCNC(=O)/C=C/c1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 8/20 0.51
▸ DRD3 P35462 8/20 0.51
▸ MC4R P32245 1/20 0.47
▸ MC5R P33032 1/20 0.47
▸ MC3R P41968 1/20 0.47
▸ MC1R Q01726 1/20 0.47
▸ BCHE P06276 1/20 0.42
▸ ACHE P22303 1/20 0.42
▸ ALOX5 P09917 1/20 0.42
▸ CCR2 P41597 3/20 0.42
▸ PYGL P06737 2/20 0.42
▸ MAPT P10636 1/20 0.41
▸ NLRP3 Q96P20 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL13691792 0.99 DRD2 (0.52) DRD2DRD3MC4RMC5RMC3R
SCHEMBL13689531 0.94 DRD3 (0.52) DRD2DRD3ALOX5PYGLSMN1; SMN2
SCHEMBL13190971 0.90 MC4R (0.48) DRD2DRD3MC4RMC5RMC3R
SCHEMBL13188833 0.88 DRD2 (0.46) DRD2DRD3MC4RMC5RMC3R
SCHEMBL13691856 0.87 DRD2 (0.47) DRD2DRD3MC4RMC5RMC3R
SCHEMBL13190967 0.84 MAPT (0.47) DRD2DRD3BCHEACHEMAPT
SCHEMBL13691770 0.83 MC4R (0.47) DRD2DRD3MC4RMC5RMC3R
SCHEMBL13189115 0.83 MC4R (0.44) DRD2DRD3MC4RMC5RMC3R
SCHEMBL13691795 0.82 DRD3 (0.47) DRD2DRD3MC4RMC5RMC3R
SCHEMBL13689521 0.79 OPRK1 (0.51) DRD2DRD3CCR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010096853-A1 METHODS OF MODULATING THE ACTIVITY OF THE MC1 RECEPTOR AND TREATMENT OF CONDITIONS RELATED TO THIS RECEPTOR MIMETICA PTY LTD (AU) 2010-09-02 — — WO disclosed
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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