SCHEMBL14723614

SCHEMBL14723614

Cc1ccc(F)c(C2CN(Cc3ccccc3)C[C@H]2[N+](=O)[O-])c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.43
HTT P42858 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CCR5 P51681 1/20 0.41
DRD2 P14416 2/20 0.39
DRD3 P35462 2/20 0.39
DPP4 P27487 2/20 0.39
BCHE P06276 4/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
ACHE P22303 1/20 0.38
BACE1 P56817 1/20 0.38
EED O75530 1/20 0.37

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
SCHEMBL463330 1.00 NPSR1 (0.43) NPSR1HTTMEN1KMT2ACCR5
SCHEMBL14723617 1.00 NPSR1 (0.43) NPSR1HTTMEN1KMT2ACCR5
SCHEMBL14723613 1.00 NPSR1 (0.43) NPSR1HTTMEN1KMT2ACCR5
SCHEMBL611817 0.89 DRD2 (0.51) MEN1KMT2ACCR5DRD2DRD3
SCHEMBL1725311 0.89 DRD2 (0.51) MEN1KMT2ACCR5DRD2DRD3
SCHEMBL1725314 0.89 DRD2 (0.51) MEN1KMT2ACCR5DRD2DRD3
SCHEMBL611816 0.89 DRD2 (0.51) MEN1KMT2ACCR5DRD2DRD3
SCHEMBL611818 0.89 DRD2 (0.51) MEN1KMT2ACCR5DRD2DRD3
SCHEMBL14722768 0.87 DPP4 (0.41) HTTMEN1KMT2ACCR5DRD2
SCHEMBL459874 0.87 DPP4 (0.41) HTTMEN1KMT2ACCR5DRD2

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-2013026587-A1 1,4 DISUBSTITUTED PYRROLIDINE - 3 - YL -AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2013-02-28 WO disclosed