SCHEMBL5324947

SCHEMBL5324947

CN(CCNC(=O)Cc1c[nH]c2c(-c3ccccc3)cccc12)C1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.42
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
BCHE P06276 10/20 0.41
ACHE P22303 10/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MTNR1A P48039 2/20 0.40
MTNR1B P49286 2/20 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
SCHEMBL5321150 0.92 KMT2A (0.39) MAPTNPSR1GAATSHRALDH1A1
SCHEMBL5324261 0.90 BCHE (0.39) MAPTNPSR1GAATSHRALDH1A1
SCHEMBL5321296 0.88 MCOLN3 (0.39) MAPTGAATSHRALDH1A1LMNA
SCHEMBL5322576 0.88 POLB (0.40) MAPTGAATSHRALDH1A1LMNA
SCHEMBL5324226 0.87 BCHE (0.42) MAPTGAATSHRALDH1A1LMNA
SCHEMBL5393266 0.87 MAPT (0.45) MAPTTSHRALDH1A1LMNASMN1; SMN2
SCHEMBL5320742 0.86 BCHE (0.42) MAPTALDH1A1LMNASMN1; SMN2BCHE
SCHEMBL5324241 0.84 MTNR1A (0.51) MAPTSMN1; SMN2BCHEACHEMTNR1A
SCHEMBL3594182 0.83 SMN1; SMN2 (0.61) MAPTGAAALDH1A1LMNASMN1; SMN2
SCHEMBL5324213 0.83 KDM4E (0.41) MAPTALDH1A1LMNASMN1; SMN2BCHE

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