SCHEMBL13190967

SCHEMBL13190967

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.47
▸ NLRP3 Q96P20 1/20 0.47
▸ MEN1 O00255 4/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ CYP1A2 P05177 2/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ UTS2R Q9UKP6 1/20 0.44
▸ LMNA P02545 3/20 0.42
▸ HTT P42858 2/20 0.42
▸ PKM P14618 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ DRD2 P14416 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ NOS2 P35228 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ BCHE P06276 1/20 0.40
▸ ACHE P22303 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ ALDH1A1 P00352 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
SCHEMBL13689519 0.86 LMNA (0.48) MEN1KMT2AUTS2RLMNAHTT
SCHEMBL13689399 0.86 LMNA (0.43) MEN1KMT2ALMNAHTTPKM
SCHEMBL13691862 0.86 UTS2R (0.43) MAPTNLRP3MEN1KMT2ACYP1A2
SCHEMBL13691792 0.85 DRD2 (0.52) MAPTNLRP3MEN1KMT2ACYP1A2
SCHEMBL13190970 0.84 DRD2 (0.51) MAPTNLRP3DRD2DRD3SMN1; SMN2
SCHEMBL13190971 0.84 MC4R (0.48) MAPTNLRP3MEN1KMT2ACYP1A2
SCHEMBL13691853 0.84 MAPT (0.44) MAPTNLRP3MEN1KMT2ACYP1A2
SCHEMBL13691674 0.84 DRD2 (0.41) MAPTMEN1KMT2ALMNAHTT
SCHEMBL13689400 0.82 HDAC3 (0.44) MEN1KMT2AUTS2RLMNAHTT
SCHEMBL13691856 0.79 DRD2 (0.47) MAPTNLRP3MEN1KMT2ACYP1A2

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-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
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