SCHEMBL5324911

SCHEMBL5324911

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ICMT O60725 1/20 0.45
MAPT P10636 4/20 0.43
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CDK4 P11802 2/20 0.40
CCND1 P24385 2/20 0.40
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
SNCA P37840 1/20 0.38
MC4R P32245 1/20 0.38
MC5R P33032 1/20 0.38
MC3R P41968 1/20 0.38
ACHE P22303 3/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SSTR3 P32745 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
SCHEMBL5321455 0.92 ALDH1A1 (0.45) MAPTALDH1A1L3MBTL1LMNASMN1; SMN2
SCHEMBL5326162 0.91 ALDH1A1 (0.46) MAPTALDH1A1L3MBTL1LMNASMN1; SMN2
SCHEMBL5321280 0.90 ICMT (0.46) ICMTMAPTALDH1A1L3MBTL1LMNA
SCHEMBL5328217 0.90 MAPT (0.43) MAPTALDH1A1L3MBTL1LMNASMN1; SMN2
SCHEMBL5322773 0.88 MAPT (0.54) MAPTALDH1A1L3MBTL1LMNASMN1; SMN2
SCHEMBL5325721 0.88 ALDH1A1 (0.43) MAPTALDH1A1L3MBTL1LMNASMN1; SMN2
SCHEMBL5325835 0.87 MAPT (0.42) MAPTALDH1A1L3MBTL1LMNASMN1; SMN2
SCHEMBL5320739 0.87 ALDH1A1 (0.44) ICMTMAPTALDH1A1L3MBTL1LMNA
SCHEMBL5326617 0.87 ALDH1A1 (0.45) ICMTMAPTALDH1A1L3MBTL1LMNA
SCHEMBL5329767 0.87 MAPT (0.45) MAPTALDH1A1L3MBTL1LMNASMN1; 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