SCHEMBL3625014

SCHEMBL3625014

NC(CCCCNC(=O)O)C(=O)NCc1ccccn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
MAPT P10636 1/20 0.51
TSHR P16473 1/20 0.51
ANPEP P15144 1/20 0.51
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
POLB P06746 3/20 0.47
NPY1R P25929 1/20 0.47
ALDH1A1 P00352 2/20 0.46
GAA P10253 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
LMNA P02545 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL13512332 0.88 SMN1; SMN2 (0.50) SMN1; SMN2CYP1A2CYP2D6MAPTTSHR
SCHEMBL16150930 0.86 SMN1; SMN2 (0.54) SMN1; SMN2CYP1A2CYP2D6MAPTTSHR
SCHEMBL16150929 0.86 SMN1; SMN2 (0.54) SMN1; SMN2CYP1A2CYP2D6MAPTTSHR
SCHEMBL3800686 0.83 ANPEP (0.50) SMN1; SMN2CYP1A2CYP2D6MAPTTSHR
SCHEMBL3800689 0.83 ANPEP (0.50) SMN1; SMN2CYP1A2CYP2D6MAPTTSHR
SCHEMBL7141122 0.79 SMN1; SMN2 (0.58) SMN1; SMN2CYP1A2CYP2D6MAPTTSHR
SCHEMBL3799393 0.79 SMN1; SMN2 (0.47) SMN1; SMN2CYP1A2CYP2D6MAPTTSHR
SCHEMBL3799389 0.79 SMN1; SMN2 (0.47) SMN1; SMN2CYP1A2CYP2D6MAPTTSHR
SCHEMBL7361107 0.79 SMN1; SMN2 (0.61) SMN1; SMN2CYP1A2CYP2D6MAPTTSHR
SCHEMBL2236636 0.79 CHRM2 (0.60) SMN1; SMN2TSHRANPEPNPC1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2262808-A2 CHEMOKINE RECEPTOR MODULATORS Altiris Therapeutics (US) 2010-12-22 EP disclosed
WO-2009121063-A2 CHEMOKINE RECEPTOR MODULATORS ALTIRIS THERAPEUTICS (US) 2009-10-01 WO disclosed