SCHEMBL17209277

SCHEMBL17209277

CC1(C)c2ccccc2-c2ccc(-n3c4ccc(-c5cccc6ccccc56)cc4c4cc(-c5cccc6ccccc56)ccc43)cc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NTSR1 P30989 2/20 0.35
▸ MCL1 Q07820 1/20 0.34
▸ ACMSD Q8TDX5 1/20 0.34
▸ CHRNA1 P02708 1/20 0.33
▸ CHRNG P07510 1/20 0.33
▸ CHRNB1 P11230 1/20 0.33
▸ CHRNB2 P17787 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ CHRNB4 P30926 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ CHRNA3 P32297 1/20 0.33
▸ CHRNA4 P43681 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ CHRND Q07001 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ENPP3 O14638 1/20 0.32

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
SCHEMBL17209285 0.96 NTSR1 (0.35) NTSR1MCL1ACMSDCHRNA1CHRNG
SCHEMBL17209210 0.95 CA12 (0.38) NTSR1MCL1ACMSDCHRNB4CHRNA3
SCHEMBL17209208 0.95 CA12 (0.38) NTSR1MCL1ACMSDCHRNB4CHRNA3
SCHEMBL23370376 0.93 CA12 (0.34) NTSR1KDM4EMEN1MAPTMAPK1
SCHEMBL17209175 0.93 CA12 (0.38) NTSR1MCL1ACMSDCHRNA1CHRNG
SCHEMBL17209220 0.92 NTSR1 (0.37) NTSR1MCL1ACMSDCHRNA1CHRNG
SCHEMBL17209164 0.92 NTSR1 (0.37) NTSR1MCL1ACMSDCHRNA1CHRNG
SCHEMBL17209236 0.92 NTSR1 (0.37) NTSR1MCL1ACMSDCHRNA1CHRNG
SCHEMBL17209214 0.92 NTSR1 (0.37) NTSR1MCL1ACMSDCHRNA1CHRNG
SCHEMBL17209177 0.92 NTSR1 (0.37) NTSR1MCL1ACMSDCHRNA1CHRNG

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
WO-2016043394-A1 LIGHT EMITTING DIODE AND ELECTRONIC DEVICE COMPRISING SAME 주식회사 엘엠에스 2016-03-24 — — WO disclosed
WO-2015163584-A1 NOVEL COMPOUND AND LIGHT EMITTING ELEMENT COMPRISING SAME 주식회사 엘엠에스 2015-10-29 — — WO disclosed
Send feedback