SCHEMBL22815541

SCHEMBL22815541

CC1CC2CC(C1)CC(C)(c1ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-c5ccc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc5)cc4)cc3)cc1)C2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 1/20 0.36
CHRNG P07510 1/20 0.36
CHRNB1 P11230 1/20 0.36
CHRNB2 P17787 1/20 0.36
SLC6A2 P23975 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
CHRND Q07001 1/20 0.36
ALDH1A1 P00352 4/20 0.34
MAPT P10636 3/20 0.34
POLB P06746 1/20 0.34
HSD11B1 P28845 3/20 0.32
CCR2 P41597 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
NPC1 O15118 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL22780466 0.99 CHRNA1 (0.37) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL26043895 0.94 LMNA (0.38) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL26364202 0.84 ALDH1A1 (0.37) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL22815489 0.84 CHRNA1 (0.32) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL22815627 0.82 MAPT (0.40) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL24422010 0.80 LMNA (0.47) ALDH1A1MAPTPOLBHSD11B1MEN1
SCHEMBL24421717 0.80 LMNA (0.47) ALDH1A1MAPTPOLBHSD11B1MEN1
SCHEMBL24422018 0.80 LMNA (0.47) ALDH1A1MAPTPOLBHSD11B1MEN1
SCHEMBL19089819 0.80 LMNA (0.47) ALDH1A1MAPTPOLBHSD11B1MEN1
SCHEMBL24422008 0.80 LMNA (0.47) ALDH1A1MAPTPOLBHSD11B1MEN1

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-2020253445-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 陕西莱特光电材料股份有限公司 2020-12-24 WO disclosed