SCHEMBL5320739

SCHEMBL5320739

CN(CCNC(=O)Cc1c[nH]c2cc(-c3ccc(C(F)(F)F)cc3)ccc12)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ICMT O60725 1/20 0.39
BCHE P06276 5/20 0.39
ACHE P22303 4/20 0.39
GSK3B P49841 1/20 0.38
TRPV1 Q8NER1 2/20 0.38
MCHR1 Q99705 2/20 0.38
GOT1 P17174 1/20 0.36
MC4R P32245 1/20 0.36
MC5R P33032 1/20 0.36
MC3R P41968 1/20 0.36
TACR1 P25103 1/20 0.36
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 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
SCHEMBL5326696 0.94 ICMT (0.46) ALDH1A1MAPTL3MBTL1LMNASMN1; SMN2
SCHEMBL5389491 0.93 ALDH1A1 (0.44) ALDH1A1MAPTL3MBTL1LMNASMN1; SMN2
SCHEMBL5321455 0.91 ALDH1A1 (0.45) ALDH1A1MAPTL3MBTL1LMNASMN1; SMN2
SCHEMBL5330027 0.90 ALDH1A1 (0.44) ALDH1A1MAPTL3MBTL1LMNASMN1; SMN2
SCHEMBL5326162 0.90 ALDH1A1 (0.46) ALDH1A1MAPTL3MBTL1LMNASMN1; SMN2
SCHEMBL5329767 0.89 MAPT (0.45) ALDH1A1MAPTL3MBTL1LMNASMN1; SMN2
SCHEMBL5326617 0.89 ALDH1A1 (0.45) ALDH1A1MAPTL3MBTL1LMNASMN1; SMN2
SCHEMBL5325121 0.89 ALDH1A1 (0.45) ALDH1A1MAPTL3MBTL1LMNASMN1; SMN2
SCHEMBL5328167 0.89 MAPT (0.44) ALDH1A1MAPTL3MBTL1LMNASMN1; SMN2
SCHEMBL5415056 0.89 SMN1; SMN2 (0.45) ALDH1A1MAPTL3MBTL1LMNASMN1; SMN2

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