SCHEMBL23839634

SCHEMBL23839634

CC1(C)c2cc(-c3ccc4ccc5cccnc5c4n3)ccc2-c2ccc(-c3ccc4ccc5cccc6ccc3c4c56)cc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 4/20 0.37
CCR8 P51685 4/20 0.37
CCR5 P51681 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MAPT P10636 4/20 0.36
KDM4E B2RXH2 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
GMNN O75496 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
HSP90AA1 P07900 1/20 0.36
MMP2 P08253 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MMP9 P14780 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36
MMP8 P22894 1/20 0.36
THPO P40225 1/20 0.36

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
SCHEMBL17491079 0.88 CCR1 (0.42) CCR1CCR8CCR5L3MBTL1MAPT
SCHEMBL13311191 0.88 CCR1 (0.47) CCR1CCR8CCR5L3MBTL1MAPT
SCHEMBL13911267 0.85 PDK2 (0.43) CCR1CCR8CCR5L3MBTL1MAPT
SCHEMBL11992196 0.84 AVPR2 (0.34) CCR1CCR8CCR5MAPTKDM4E
SCHEMBL16558128 0.84 CCR1 (0.46) CCR1CCR8CCR5L3MBTL1MAPT
SCHEMBL1155615 0.84 ALDH1A1 (0.42) L3MBTL1MAPTKDM4ETDP1CYP3A4
SCHEMBL18902594 0.84 CCR1 (0.39) CCR1CCR8CCR5L3MBTL1MAPT
SCHEMBL17680322 0.83 CCR1 (0.44) CCR1CCR8CCR5L3MBTL1MAPT
SCHEMBL24454211 0.83 CCR1 (0.37) CCR1CCR8CCR5L3MBTL1MAPT
SCHEMBL13911265 0.82 NPC1 (0.44) L3MBTL1MAPTKDM4EGMNNLMNA

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
EP-3882238-A1 COMPOUND, MATERIAL FOR AN ORGANIC ELECTROLUMINESCENCE DEVICE AND AN ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE COMPOUND Idemitsu Kosan Co.,Ltd. (JP) 2021-09-22 EP disclosed