SCHEMBL5325835

SCHEMBL5325835

CN(CCNC(=O)Cc1c[nH]c2cc(-c3cccc(C#N)c3)ccc12)C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
BCHE P06276 2/20 0.40
MCOLN3 Q8TDD5 1/20 0.40
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
ALOX15 P16050 1/20 0.39
KMT2A Q03164 1/20 0.39
ABL1 P00519 1/20 0.37
MC4R P32245 1/20 0.36
MC5R P33032 1/20 0.36
MC3R P41968 1/20 0.36
PIM1 P11309 1/20 0.36
PIM3 Q86V86 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
TSHR P16473 1/20 0.36
MCHR1 Q99705 3/20 0.35
SLC6A4 P31645 1/20 0.35

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
SCHEMBL5329630 0.93 ALDH1A1 (0.43) MAPTALDH1A1L3MBTL1BCHELMNA
SCHEMBL5326162 0.89 ALDH1A1 (0.46) MAPTALDH1A1L3MBTL1BCHELMNA
SCHEMBL5321280 0.88 ICMT (0.46) MAPTALDH1A1L3MBTL1BCHELMNA
SCHEMBL5324911 0.87 ICMT (0.45) MAPTALDH1A1L3MBTL1BCHELMNA
SCHEMBL5321296 0.86 MCOLN3 (0.39) MAPTALDH1A1BCHEMCOLN3LMNA
SCHEMBL5322773 0.86 MAPT (0.54) MAPTALDH1A1L3MBTL1LMNASMN1; SMN2
SCHEMBL5329767 0.85 MAPT (0.45) MAPTALDH1A1L3MBTL1BCHELMNA
SCHEMBL5321455 0.85 ALDH1A1 (0.45) MAPTALDH1A1L3MBTL1BCHELMNA
SCHEMBL5323221 0.85 MAPT (0.45) MAPTALDH1A1L3MBTL1BCHELMNA
SCHEMBL5326617 0.85 ALDH1A1 (0.45) MAPTALDH1A1L3MBTL1BCHELMNA

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