SCHEMBL5324261

SCHEMBL5324261

CN(CCNC(=O)Cc1c[nH]c2c(-c3ccc(C(F)(F)F)cc3)cccc12)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BCHE P06276 14/20 0.39
ACHE P22303 13/20 0.39
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SCN9A Q15858 1/20 0.38
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL5324947 0.90 MAPT (0.45) BCHEACHEGAATSHRMEN1
SCHEMBL5321150 0.90 KMT2A (0.39) BCHEACHEGAATSHRMEN1
SCHEMBL5322576 0.86 POLB (0.40) BCHEACHEGAATSHRMEN1
SCHEMBL5324226 0.83 BCHE (0.42) BCHEACHEGAATSHRMEN1
SCHEMBL5393266 0.83 MAPT (0.45) BCHEACHETSHRMAPTALDH1A1
SCHEMBL5320739 0.83 ALDH1A1 (0.44) BCHEACHEMAPTALDH1A1LMNA
SCHEMBL5321296 0.83 MCOLN3 (0.39) BCHEACHEGAATSHRMEN1
SCHEMBL5320742 0.82 BCHE (0.42) BCHEACHEMEN1KMT2AMAPT
SCHEMBL5324241 0.81 MTNR1A (0.51) BCHEACHEMAPTSMN1; SMN2
SCHEMBL5324213 0.79 KDM4E (0.41) BCHEACHEMEN1KMT2AMAPT

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-2007115231-A2 CXCR4 MODULATORS CHEMOCENTRYX, INC. (US) 2007-10-11 WO disclosed