SCHEMBL7679401

SCHEMBL7679401

CC(C)c1ccnc(-c2cc(C(C)C)cc(-c3cc(C(C)C)cc(-c4cc(C(C)C)ccn4)n3)n2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 4/20 0.41
CCR5 P51681 4/20 0.41
CCR8 P51685 4/20 0.41
CHRNA7 P36544 1/20 0.36
PIM1 P11309 1/20 0.35
SYK P43405 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
LMNA P02545 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SCN4A P35499 1/20 0.33
JAK2 O60674 2/20 0.33
AURKA O14965 1/20 0.33
DAPK3 O43293 1/20 0.33
MAP4K4 O95819 1/20 0.33
PAK4 O96013 1/20 0.33
ABL1 P00519 1/20 0.33
LCK P06239 1/20 0.33
FYN P06241 1/20 0.33
CSF1R P07333 1/20 0.33

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
SCHEMBL19362627 1.00 CCR1 (0.41) CCR1CCR5CCR8CHRNA7PIM1
SCHEMBL11399098 0.91 CCR1 (0.48) CCR1CCR5CCR8CHRNA7PIM1
SCHEMBL11996115 0.80 CCR1 (0.58) CCR1CCR5CCR8SMN1; SMN2LMNA
SCHEMBL17243765 0.80 KDM4E (0.54) CCR1CCR5CCR8PIM1SMN1; SMN2
SCHEMBL13708507 0.77 MAPKAPK2 (0.37) LMNATGFBR1MAPTTSHRALDH1A1
SCHEMBL13609361 0.77 NOS3 (0.47) CCR1CCR5CCR8CHRNA7PIM1
SCHEMBL14054103 0.76 ASIC3 (0.53) PIM1LMNANPC1RAB9AAURKA
SCHEMBL22971726 0.76 MAPKAPK2 (0.43) CCR1CCR5CCR8CHRNA7PIM1
SCHEMBL25605943 0.76 JMJD6 (0.54) CCR1CCR5CCR8DYRK1AKDM5B
SCHEMBL23252956 0.75 CCR1 (0.42) CCR1CCR5CCR8PIM1LMNA

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
US-6437130-B1 FOR USE IN DYE SENSITIZING TYPE SOLAR BATTERY AISIN SEIKI KABUSHIKI KAISHA (JP) 2002-08-20 US disclosed